1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol

C188H199Cl5F17N29O16 — CID 163761714

About 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol

1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 163761714) has the molecular formula C188H199Cl5F17N29O16 and a molecular weight of 3621.08 g/mol. Its IUPAC name is 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

• Compound Name: 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol
• PubChem CID: 163761714
• Molecular Formula: C188H199Cl5F17N29O16
• Molecular Weight: 3621.08 g/mol
• Exact Mass: 3616.38
• IUPAC Name: 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol
• SMILES: C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(Oc3cccc4c3CCN(C)C4)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1.CN1CCc2c(O)cccc2C1.CN1CCc2c(O)cccc2C1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C[C@@H]5C)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C[C@@H]5C)nc(Oc5cccc6c5CCN(C)C6)nc4c3F)n2)cc1.Cc1cc(N)nc(-c2c(Cl)cc3c(N4CCCC[C@@H]4C)nc(Oc4cccc5c4CCN(C)C5)nc3c2F)c1C(F)(F)F.Oc1cccc2c1CCNC2
• InChI: InChI=1S/C51H54ClF4N7O5.C41H42ClF5N6O4.C33H32ClF4N7O2.C31H31ClF4N6O.2C10H13NO.C9H11NO.C3H3ClO/c1-30-24-41(62(27-32-12-16-35(65-7)17-13-32)28-33-14-18-36(66-8)19-15-33)57-46(43(30)51(54,55)56)42-39(52)25-38-45(44(42)53)58-48(67-40-11-9-10-34-29-60(6)21-20-37(34)40)59-47(38)63-23-22-61(26-31(63)2)49(64)68-50(3,4)5;1-23-18-31(52(21-25-8-12-27(55-6)13-9-25)22-26-10-14-28(56-7)15-11-26)48-36(33(23)41(45,46)47)32-30(42)19-29-35(34(32)43)49-38(44)50-37(29)53-17-16-51(20-24(53)2)39(54)57-40(3,4)5;1-5-25(46)44-11-12-45(18(3)15-44)31-21-14-22(34)26(30-27(33(36,37)38)17(2)13-24(39)40-30)28(35)29(21)41-32(42-31)47-23-8-6-7-19-16-43(4)10-9-20(19)23;1-16-13-23(37)38-28(25(16)31(34,35)36)24-21(32)14-20-27(26(24)33)39-30(40-29(20)42-11-5-4-7-17(42)2)43-22-9-6-8-18-15-41(3)12-10-19(18)22;2*1-11-6-5-9-8(7-11)3-2-4-10(9)12;11-9-3-1-2-7-6-10-5-4-8(7)9;1-2-3(4)5/h9-19,24-25,31H,20-23,26-29H2,1-8H3;8-15,18-19,24H,16-17,20-22H2,1-7H3;5-8,13-14,18H,1,9-12,15-16H2,2-4H3,(H2,39,40);6,8-9,13-14,17H,4-5,7,10-12,15H2,1-3H3,(H2,37,38);2*2-4,12H,5-7H2,1H3;1-3,10-11H,4-6H2;2H,1H2/t31-;24-;18-;17-;;;;/m0000..../s1
• InChIKey: LYSSAUBZECNMHY-QVQYDIQJSA-N
• XLogP: 39.57
• TPSA: 476.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3621.08
LogP ≤ 5	39.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol?

The IUPAC name of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol (CID 163761714) is 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol.

What is the SMILES notation for 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol?

The canonical SMILES for 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol is C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(Oc3cccc4c3CCN(C)C4)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1.CN1CCc2c(O)cccc2C1.CN1CCc2c(O)cccc2C1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C[C@@H]5C)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C[C@@H]5C)nc(Oc5cccc6c5CCN(C)C6)nc4c3F)n2)cc1.Cc1cc(N)nc(-c2c(Cl)cc3c(N4CCCC[C@@H]4C)nc(Oc4cccc5c4CCN(C)C5)nc3c2F)c1C(F)(F)F.Oc1cccc2c1CCNC2.

What is the InChIKey of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol?

The InChIKey is LYSSAUBZECNMHY-QVQYDIQJSA-N. The full InChI is InChI=1S/C51H54ClF4N7O5.C41H42ClF5N6O4.C33H32ClF4N7O2.C31H31ClF4N6O.2C10H13NO.C9H11NO.C3H3ClO/c1-30-24-41(62(27-32-12-16-35(65-7)17-13-32)28-33-14-18-36(66-8)19-15-33)57-46(43(30)51(54,55)56)42-39(52)25-38-45(44(42)53)58-48(67-40-11-9-10-34-29-60(6)21-20-37(34)40)59-47(38)63-23-22-61(26-31(63)2)49(64)68-50(3,4)5;1-23-18-31(52(21-25-8-12-27(55-6)13-9-25)22-26-10-14-28(56-7)15-11-26)48-36(33(23)41(45,46)47)32-30(42)19-29-35(34(32)43)49-38(44)50-37(29)53-17-16-51(20-24(53)2)39(54)57-40(3,4)5;1-5-25(46)44-11-12-45(18(3)15-44)31-21-14-22(34)26(30-27(33(36,37)38)17(2)13-24(39)40-30)28(35)29(21)41-32(42-31)47-23-8-6-7-19-16-43(4)10-9-20(19)23;1-16-13-23(37)38-28(25(16)31(34,35)36)24-21(32)14-20-27(26(24)33)39-30(40-29(20)42-11-5-4-7-17(42)2)43-22-9-6-8-18-15-41(3)12-10-19(18)22;2*1-11-6-5-9-8(7-11)3-2-4-10(9)12;11-9-3-1-2-7-6-10-5-4-8(7)9;1-2-3(4)5/h9-19,24-25,31H,20-23,26-29H2,1-8H3;8-15,18-19,24H,16-17,20-22H2,1-7H3;5-8,13-14,18H,1,9-12,15-16H2,2-4H3,(H2,39,40);6,8-9,13-14,17H,4-5,7,10-12,15H2,1-3H3,(H2,37,38);2*2-4,12H,5-7H2,1H3;1-3,10-11H,4-6H2;2H,1H2/t31-;24-;18-;17-;;;;/m0000..../s1.

What are the key properties of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol?

1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 3621.08 g/mol, XLogP of 39.57, 30 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;6-[6-chloro-8-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-[(2S)-2-methylpiperidin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;bis(2-methyl-3,4-dihydro-1H-isoquinolin-5-ol);prop-2-enoyl chloride;1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 163761714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).