(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C31H27ClFN3O4 — CID 167621611

About (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167621611) has the molecular formula C31H27ClFN3O4 and a molecular weight of 560.03 g/mol. Its IUPAC name is (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167621611
• Molecular Formula: C31H27ClFN3O4
• Molecular Weight: 560.03 g/mol
• Exact Mass: 559.17
• IUPAC Name: (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CCC(=O)c1cc(Cl)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C31H27ClFN3O4/c1-30(29(34)38)16-40-28-22(30)15-25(36-27(28)17-4-8-21(33)9-5-17)31(39,20-6-7-20)11-10-24(37)19-13-18-3-2-12-35-26(18)23(32)14-19/h2-5,8-9,12-15,20,39H,6-7,10-11,16H2,1H3,(H2,34,38)/t30-,31+/m0/s1
• InChIKey: MNCPEBDNRBYCHR-IOWSJCHKSA-N
• XLogP: 5.49
• TPSA: 115.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.03
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167621611) is (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CCC(=O)c1cc(Cl)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1.

What is the InChIKey of (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is MNCPEBDNRBYCHR-IOWSJCHKSA-N. The full InChI is InChI=1S/C31H27ClFN3O4/c1-30(29(34)38)16-40-28-22(30)15-25(36-27(28)17-4-8-21(33)9-5-17)31(39,20-6-7-20)11-10-24(37)19-13-18-3-2-12-35-26(18)23(32)14-19/h2-5,8-9,12-15,20,39H,6-7,10-11,16H2,1H3,(H2,34,38)/t30-,31+/m0/s1.

What are the key properties of (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 560.03 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167621611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).