N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide

C34H30N4O6 — CID 121361531

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 121361531) has the molecular formula C34H30N4O6 and a molecular weight of 590.64 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
• PubChem CID: 121361531
• Molecular Formula: C34H30N4O6
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.22
• IUPAC Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cc5c(n([C@@H](C)c6ccccc6)c4=O)CCCC5=O)nc3)c2cc1OC
• InChI: InChI=1S/C34H30N4O6/c1-20(21-8-5-4-6-9-21)38-27-10-7-11-28(39)24(27)16-25(34(38)41)33(40)37-32-13-12-22(19-36-32)44-29-14-15-35-26-18-31(43-3)30(42-2)17-23(26)29/h4-6,8-9,12-20H,7,10-11H2,1-3H3,(H,36,37,40)/t20-/m0/s1
• InChIKey: WGMPYJXEPFWBII-FQEVSTJZSA-N
• XLogP: 5.98
• TPSA: 121.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?

The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide (CID 121361531) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide.

What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?

The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cc5c(n([C@@H](C)c6ccccc6)c4=O)CCCC5=O)nc3)c2cc1OC.

What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?

The InChIKey is WGMPYJXEPFWBII-FQEVSTJZSA-N. The full InChI is InChI=1S/C34H30N4O6/c1-20(21-8-5-4-6-9-21)38-27-10-7-11-28(39)24(27)16-25(34(38)41)33(40)37-32-13-12-22(19-36-32)44-29-14-15-35-26-18-31(43-3)30(42-2)17-23(26)29/h4-6,8-9,12-20H,7,10-11H2,1-3H3,(H,36,37,40)/t20-/m0/s1.

What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 590.64 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 121361531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).