N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide

C27H26FN5O4 — CID 70963535

About N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide

N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide (PubChem CID 70963535) has the molecular formula C27H26FN5O4 and a molecular weight of 503.53 g/mol. Its IUPAC name is N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide
• PubChem CID: 70963535
• Molecular Formula: C27H26FN5O4
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.20
• IUPAC Name: N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide
• SMILES: COc1ccc2[nH]c(=O)c(CN(CCc3ccc(F)cc3)C(=O)Nc3ccc(NC(C)=O)nc3)cc2c1
• InChI: InChI=1S/C27H26FN5O4/c1-17(34)30-25-10-7-22(15-29-25)31-27(36)33(12-11-18-3-5-21(28)6-4-18)16-20-13-19-14-23(37-2)8-9-24(19)32-26(20)35/h3-10,13-15H,11-12,16H2,1-2H3,(H,31,36)(H,32,35)(H,29,30,34)
• InChIKey: HKZUSMSIFKEYSV-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide?

The IUPAC name of N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide (CID 70963535) is N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide?

The canonical SMILES for N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide is COc1ccc2[nH]c(=O)c(CN(CCc3ccc(F)cc3)C(=O)Nc3ccc(NC(C)=O)nc3)cc2c1.

What is the InChIKey of N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide?

The InChIKey is HKZUSMSIFKEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O4/c1-17(34)30-25-10-7-22(15-29-25)31-27(36)33(12-11-18-3-5-21(28)6-4-18)16-20-13-19-14-23(37-2)8-9-24(19)32-26(20)35/h3-10,13-15H,11-12,16H2,1-2H3,(H,31,36)(H,32,35)(H,29,30,34).

What are the key properties of N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide?

N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide has a molecular weight of 503.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(4-fluorophenyl)ethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 70963535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).