6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C34H29Cl2FN6O3 — CID 54761457

About 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54761457) has the molecular formula C34H29Cl2FN6O3 and a molecular weight of 659.55 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 54761457
• Molecular Formula: C34H29Cl2FN6O3
• Molecular Weight: 659.55 g/mol
• Exact Mass: 658.17
• IUPAC Name: 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1(C)Nc2ccccc2C(=O)C1n1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc21
• InChI: InChI=1S/C34H29Cl2FN6O3/c1-34(2)30(29(44)23-5-3-4-6-27(23)42-34)43-31-18(13-24(32(43)45)21-9-7-19(35)14-25(21)36)16-39-33(41-31)40-20-8-10-22(26(37)15-20)28-17-38-11-12-46-28/h3-10,13-16,28,30,38,42H,11-12,17H2,1-2H3,(H,39,40,41)
• InChIKey: ABOCOONTTYZONI-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 110.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.55
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 54761457) is 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC1(C)Nc2ccccc2C(=O)C1n1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc21.

What is the InChIKey of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ABOCOONTTYZONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29Cl2FN6O3/c1-34(2)30(29(44)23-5-3-4-6-27(23)42-34)43-31-18(13-24(32(43)45)21-9-7-19(35)14-25(21)36)16-39-33(41-31)40-20-8-10-22(26(37)15-20)28-17-38-11-12-46-28/h3-10,13-16,28,30,38,42H,11-12,17H2,1-2H3,(H,39,40,41).

What are the key properties of 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 659.55 g/mol, XLogP of 6.94, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).