6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)

C199H218ClFN36O19 — CID 158445760

IUPAC6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCC)c(OCCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CC.CC.CC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H33N7O.2C29H31N7O.C23H25N3O4.C22H23N3O4.2C22H23N3O3.C18H17ClFN3O2.2C2H6/c1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-4-6-17-7-5-8-18(13-17)26-23-19-14-21(29-11-9-27-2)22(30-12-10-28-3)15-20(19)24-16-25-23;1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;1-4-9-27-21-14-19-18(13-20(21)28-11-10-26-3)22(24-15-23-19)25-17-8-6-7-16(5-2)12-17;1-4-9-27-20-13-18-19(14-21(20)28-11-10-26-3)23-15-24-22(18)25-17-8-6-7-16(5-2)12-17;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;2*1-2/h4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);5,7-8,13-16H,9-12H2,1-3H3,(H,24,25,26);1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);2*2,6-8,12-15H,4,9-11H2,1,3H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);2*1-2H3
InChIKeyHDJHUDCAUMDFCP-UHFFFAOYSA-N
MW3472.62 g/mol
LogP36.89
Rot. Bonds65

About 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)

6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) (PubChem CID 158445760) has the molecular formula C199H218ClFN36O19 and a molecular weight of 3472.62 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide).

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
PubChem CID158445760
Molecular FormulaC199H218ClFN36O19
Molecular Weight3472.62 g/mol
Exact Mass3469.69
IUPAC Name6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCC)c(OCCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CC.CC.CC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H33N7O.2C29H31N7O.C23H25N3O4.C22H23N3O4.2C22H23N3O3.C18H17ClFN3O2.2C2H6/c1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-4-6-17-7-5-8-18(13-17)26-23-19-14-21(29-11-9-27-2)22(30-12-10-28-3)15-20(19)24-16-25-23;1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;1-4-9-27-21-14-19-18(13-20(21)28-11-10-26-3)22(24-15-23-19)25-17-8-6-7-16(5-2)12-17;1-4-9-27-20-13-18-19(14-21(20)28-11-10-26-3)23-15-24-22(18)25-17-8-6-7-16(5-2)12-17;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;2*1-2/h4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);5,7-8,13-16H,9-12H2,1-3H3,(H,24,25,26);1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);2*2,6-8,12-15H,4,9-11H2,1,3H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);2*1-2H3
InChIKeyHDJHUDCAUMDFCP-UHFFFAOYSA-N
XLogP36.89
TPSA595.57 Ų
H-Bond Donors11
H-Bond Acceptors52
Rotatable Bonds65
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003472.62
LogP ≤ 536.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) with MolForge

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Related Compounds

3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 11519624
3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646074
3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-ylamino)pyrimidin-2-yl)benzamide
CID 44408804
3-chloro-N-[4-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenyl]benzamide
CID 127028310
N-(1-adamantyl)-2-chloro-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 127042642
CID 164517154
CID 164517154
5-[2-[2-[2-[2-[2-[3-[4-[3-[4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168272972
5-[2-[2-[2-[2-[3-[4-[3-[4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168294550
4-chloro-N-[4-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenyl]benzamide
CID 127028312
2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]-3-chloroanilino]-2-oxoethoxy]-N-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]-3-chlorophenyl]acetamide
CID 162675596
3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide
CID 168296543
N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxybutyl]-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 177374895

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) (CID 158445760) is 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide).
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) is C#Cc1cccc(Nc2ncnc3cc(OCCC)c(OCCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CC.CC.CC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
The InChIKey is HDJHUDCAUMDFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O.2C29H31N7O.C23H25N3O4.C22H23N3O4.2C22H23N3O3.C18H17ClFN3O2.2C2H6/c1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-4-6-17-7-5-8-18(13-17)26-23-19-14-21(29-11-9-27-2)22(30-12-10-28-3)15-20(19)24-16-25-23;1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;1-4-9-27-21-14-19-18(13-20(21)28-11-10-26-3)22(24-15-23-19)25-17-8-6-7-16(5-2)12-17;1-4-9-27-20-13-18-19(14-21(20)28-11-10-26-3)23-15-24-22(18)25-17-8-6-7-16(5-2)12-17;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;2*1-2/h4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);5,7-8,13-16H,9-12H2,1-3H3,(H,24,25,26);1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);2*2,6-8,12-15H,4,9-11H2,1,3H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);2*1-2H3.
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) has a molecular weight of 3472.62 g/mol, XLogP of 36.89, 65 rotatable bonds, 11 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) is sourced from PubChem (CID 158445760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).