(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine

C118H142F5N21O10 — CID 162226578

About (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine

(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 162226578) has the molecular formula C118H142F5N21O10 and a molecular weight of 2109.56 g/mol. Its IUPAC name is (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine
• PubChem CID: 162226578
• Molecular Formula: C118H142F5N21O10
• Molecular Weight: 2109.56 g/mol
• Exact Mass: 2108.12
• IUPAC Name: (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine
• SMILES: Cc1cc2c(N3C[C@@H](C)CC[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1c(C)ccc2[nH]ncc12.Cc1cc2c(N3C[C@@H](C)N(C=O)C[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1c(O)ccc2ccccc12.Cc1cc2c(N3C[C@@H](C)N(C=O)C[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1c(O)cccc1F.Cc1cc2c(N3C[C@@H](C)N(C=O)C[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1cc(O)cc2ccccc12
• InChI: InChI=1S/2C31H36FN5O3.C29H37FN6O.C27H33F2N5O3/c1-19-15-24-29(28(32)26(19)27-23-10-7-6-9-22(23)11-12-25(27)39)33-31(40-14-8-13-35(4)5)34-30(24)37-17-20(2)36(18-38)16-21(37)3;1-19-13-26-29(28(32)27(19)25-15-23(39)14-22-9-6-7-10-24(22)25)33-31(40-12-8-11-35(4)5)34-30(26)37-17-20(2)36(18-38)16-21(37)3;1-17-8-10-20(4)36(16-17)28-21-14-19(3)25(24-18(2)9-11-23-22(24)15-31-34-23)26(30)27(21)32-29(33-28)37-13-7-12-35(5)6;1-16-12-19-25(24(29)22(16)23-20(28)8-6-9-21(23)36)30-27(37-11-7-10-32(4)5)31-26(19)34-14-17(2)33(15-35)13-18(34)3/h6-7,9-12,15,18,20-21,39H,8,13-14,16-17H2,1-5H3;6-7,9-10,13-15,18,20-21,39H,8,11-12,16-17H2,1-5H3;9,11,14-15,17,20H,7-8,10,12-13,16H2,1-6H3,(H,31,34);6,8-9,12,15,17-18,36H,7,10-11,13-14H2,1-5H3/t2*20-,21+;17-,20-;17-,18+/m1101/s1
• InChIKey: ZUVRQYIKOQTURU-VVNRSEPMSA-N
• XLogP: 19.84
• TPSA: 316.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2109.56
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?

The IUPAC name of (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine (CID 162226578) is (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine.

What is the SMILES notation for (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?

The canonical SMILES for (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine is Cc1cc2c(N3C[C@@H](C)CC[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1c(C)ccc2[nH]ncc12.Cc1cc2c(N3C[C@@H](C)N(C=O)C[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1c(O)ccc2ccccc12.Cc1cc2c(N3C[C@@H](C)N(C=O)C[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1c(O)cccc1F.Cc1cc2c(N3C[C@@H](C)N(C=O)C[C@@H]3C)nc(OCCCN(C)C)nc2c(F)c1-c1cc(O)cc2ccccc12.

What is the InChIKey of (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?

The InChIKey is ZUVRQYIKOQTURU-VVNRSEPMSA-N. The full InChI is InChI=1S/2C31H36FN5O3.C29H37FN6O.C27H33F2N5O3/c1-19-15-24-29(28(32)26(19)27-23-10-7-6-9-22(23)11-12-25(27)39)33-31(40-14-8-13-35(4)5)34-30(24)37-17-20(2)36(18-38)16-21(37)3;1-19-13-26-29(28(32)27(19)25-15-23(39)14-22-9-6-7-10-24(22)25)33-31(40-12-8-11-35(4)5)34-30(26)37-17-20(2)36(18-38)16-21(37)3;1-17-8-10-20(4)36(16-17)28-21-14-19(3)25(24-18(2)9-11-23-22(24)15-31-34-23)26(30)27(21)32-29(33-28)37-13-7-12-35(5)6;1-16-12-19-25(24(29)22(16)23-20(28)8-6-9-21(23)36)30-27(37-11-7-10-32(4)5)31-26(19)34-14-17(2)33(15-35)13-18(34)3/h6-7,9-12,15,18,20-21,39H,8,13-14,16-17H2,1-5H3;6-7,9-10,13-15,18,20-21,39H,8,11-12,16-17H2,1-5H3;9,11,14-15,17,20H,7-8,10,12-13,16H2,1-6H3,(H,31,34);6,8-9,12,15,17-18,36H,7,10-11,13-14H2,1-5H3/t2*20-,21+;17-,20-;17-,18+/m1101/s1.

What are the key properties of (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?

(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 2109.56 g/mol, XLogP of 19.84, 31 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(2-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;(2R,5S)-4-[2-[3-(dimethylamino)propoxy]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazine-1-carbaldehyde;3-[4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-6-methyl-7-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 162226578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).