(3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide

C31H30FN5O5 — CID 167646595

About (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167646595) has the molecular formula C31H30FN5O5 and a molecular weight of 571.61 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167646595
• Molecular Formula: C31H30FN5O5
• Molecular Weight: 571.61 g/mol
• Exact Mass: 571.22
• IUPAC Name: (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(NC(N)=O)c3ncccc3c1)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C31H30FN5O5/c1-30(28(39)34-3)16-42-27-21(30)15-24(37-26(27)17-6-8-20(32)9-7-17)31(2,41)11-10-23(38)19-13-18-5-4-12-35-25(18)22(14-19)36-29(33)40/h4-9,12-15,41H,10-11,16H2,1-3H3,(H,34,39)(H3,33,36,40)/t30-,31-/m0/s1
• InChIKey: PYQLGEPWZGAPPI-CONSDPRKSA-N
• XLogP: 4.19
• TPSA: 156.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.61
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167646595) is (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide is CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(NC(N)=O)c3ncccc3c1)nc2-c1ccc(F)cc1.

What is the InChIKey of (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is PYQLGEPWZGAPPI-CONSDPRKSA-N. The full InChI is InChI=1S/C31H30FN5O5/c1-30(28(39)34-3)16-42-27-21(30)15-24(37-26(27)17-6-8-20(32)9-7-17)31(2,41)11-10-23(38)19-13-18-5-4-12-35-25(18)22(14-19)36-29(33)40/h4-9,12-15,41H,10-11,16H2,1-3H3,(H,34,39)(H3,33,36,40)/t30-,31-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 571.61 g/mol, XLogP of 4.19, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167646595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).