4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine

C116H91F8N19 — CID 158888618

About 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine

4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine (PubChem CID 158888618) has the molecular formula C116H91F8N19 and a molecular weight of 1903.12 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine
• PubChem CID: 158888618
• Molecular Formula: C116H91F8N19
• Molecular Weight: 1903.12 g/mol
• Exact Mass: 1901.76
• IUPAC Name: 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine
• SMILES: CNc1ccc2c(N3CCCc4c3ccnc4C)nc(-c3ccccc3F)nc2c1.Cc1nccc2c1CCCN2c1c(F)c(-c2ccccc2F)nc2ccccc12.Cc1nccc2c1CCCN2c1c(F)c(-c2ccccc2F)nc2ccccc12.Fc1ccccc1-c1nc(N2CCCc3cnccc32)c2ccccc2n1.Nc1cc2c(ccn2-c2c(F)c(-c3cccc(F)c3)nc3ccccc23)cn1
• InChI: InChI=1S/2C24H19F2N3.C24H22FN5.C22H14F2N4.C22H17FN4/c2*1-15-16-9-6-14-29(21(16)12-13-27-15)24-18-8-3-5-11-20(18)28-23(22(24)26)17-7-2-4-10-19(17)25;1-15-17-7-5-13-30(22(17)11-12-27-15)24-19-10-9-16(26-2)14-21(19)28-23(29-24)18-6-3-4-8-20(18)25;23-15-5-3-4-13(10-15)21-20(24)22(16-6-1-2-7-17(16)27-21)28-9-8-14-12-26-19(25)11-18(14)28;23-18-9-3-1-7-16(18)21-25-19-10-4-2-8-17(19)22(26-21)27-13-5-6-15-14-24-12-11-20(15)27/h2*2-5,7-8,10-13H,6,9,14H2,1H3;3-4,6,8-12,14,26H,5,7,13H2,1-2H3;1-12H,(H2,25,26);1-4,7-12,14H,5-6,13H2
• InChIKey: JDYBQKZLVUQLGW-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 210.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.12
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine?

The IUPAC name of 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine (CID 158888618) is 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine.

What is the SMILES notation for 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine?

The canonical SMILES for 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine is CNc1ccc2c(N3CCCc4c3ccnc4C)nc(-c3ccccc3F)nc2c1.Cc1nccc2c1CCCN2c1c(F)c(-c2ccccc2F)nc2ccccc12.Cc1nccc2c1CCCN2c1c(F)c(-c2ccccc2F)nc2ccccc12.Fc1ccccc1-c1nc(N2CCCc3cnccc32)c2ccccc2n1.Nc1cc2c(ccn2-c2c(F)c(-c3cccc(F)c3)nc3ccccc23)cn1.

What is the InChIKey of 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine?

The InChIKey is JDYBQKZLVUQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19F2N3.C24H22FN5.C22H14F2N4.C22H17FN4/c2*1-15-16-9-6-14-29(21(16)12-13-27-15)24-18-8-3-5-11-20(18)28-23(22(24)26)17-7-2-4-10-19(17)25;1-15-17-7-5-13-30(22(17)11-12-27-15)24-19-10-9-16(26-2)14-21(19)28-23(29-24)18-6-3-4-8-20(18)25;23-15-5-3-4-13(10-15)21-20(24)22(16-6-1-2-7-17(16)27-21)28-9-8-14-12-26-19(25)11-18(14)28;23-18-9-3-1-7-16(18)21-25-19-10-4-2-8-17(19)22(26-21)27-13-5-6-15-14-24-12-11-20(15)27/h2*2-5,7-8,10-13H,6,9,14H2,1H3;3-4,6,8-12,14,26H,5,7,13H2,1-2H3;1-12H,(H2,25,26);1-4,7-12,14H,5-6,13H2.

What are the key properties of 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine?

4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine has a molecular weight of 1903.12 g/mol, XLogP of 27.22, 11 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 158888618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).