1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol

C51H51ClF4N10O4 — CID 157376337

About 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol

1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 157376337) has the molecular formula C51H51ClF4N10O4 and a molecular weight of 979.48 g/mol. Its IUPAC name is 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol
• PubChem CID: 157376337
• Molecular Formula: C51H51ClF4N10O4
• Molecular Weight: 979.48 g/mol
• Exact Mass: 978.37
• IUPAC Name: 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol
• SMILES: Cc1c(-c2ccc(N3CCC(O)C3)nc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc(N3CCC(O)C3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
• InChI: InChI=1S/C32H35F2N7O3.C19H16ClF2N3O/c1-20-30(21-2-3-28(35-17-21)41-5-4-24(42)19-41)37-26-15-22(33)14-25(34)29(26)31(20)38-27-16-23(39-6-10-43-11-7-39)18-36-32(27)40-8-12-44-13-9-40;1-10-18(20)17-14(22)6-12(21)7-15(17)24-19(10)11-2-3-16(23-8-11)25-5-4-13(26)9-25/h2-3,14-18,24,42H,4-13,19H2,1H3,(H,37,38);2-3,6-8,13,26H,4-5,9H2,1H3
• InChIKey: BKJHGWXYOLRVIX-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 148.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.48
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol?

The IUPAC name of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 157376337) is 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol.

What is the SMILES notation for 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol?

The canonical SMILES for 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol is Cc1c(-c2ccc(N3CCC(O)C3)nc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc(N3CCC(O)C3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.

What is the InChIKey of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol?

The InChIKey is BKJHGWXYOLRVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O3.C19H16ClF2N3O/c1-20-30(21-2-3-28(35-17-21)41-5-4-24(42)19-41)37-26-15-22(33)14-25(34)29(26)31(20)38-27-16-23(39-6-10-43-11-7-39)18-36-32(27)40-8-12-44-13-9-40;1-10-18(20)17-14(22)6-12(21)7-15(17)24-19(10)11-2-3-16(23-8-11)25-5-4-13(26)9-25/h2-3,14-18,24,42H,4-13,19H2,1H3,(H,37,38);2-3,6-8,13,26H,4-5,9H2,1H3.

What are the key properties of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol?

1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 979.48 g/mol, XLogP of 8.37, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 157376337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).