N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C28H23N3O4 — CID 175658405

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cc4cc(OC)ccc4[nH]c3=O)c3ccccc3n2)cc1
InChIInChI=1S/C28H23N3O4/c1-34-20-9-7-17(8-10-20)26-15-23(22-5-3-4-6-25(22)30-26)28(33)29-16-19-13-18-14-21(35-2)11-12-24(18)31-27(19)32/h3-15H,16H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyKWCMRLKJWMLEGR-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.69
Rot. Bonds6

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 175658405) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID175658405
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cc4cc(OC)ccc4[nH]c3=O)c3ccccc3n2)cc1
InChIInChI=1S/C28H23N3O4/c1-34-20-9-7-17(8-10-20)26-15-23(22-5-3-4-6-25(22)30-26)28(33)29-16-19-13-18-14-21(35-2)11-12-24(18)31-27(19)32/h3-15H,16H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyKWCMRLKJWMLEGR-UHFFFAOYSA-N
XLogP4.69
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 110324868
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-chlorophenoxy)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324899

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 175658405) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cc4cc(OC)ccc4[nH]c3=O)c3ccccc3n2)cc1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is KWCMRLKJWMLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c1-34-20-9-7-17(8-10-20)26-15-23(22-5-3-4-6-25(22)30-26)28(33)29-16-19-13-18-14-21(35-2)11-12-24(18)31-27(19)32/h3-15H,16H2,1-2H3,(H,29,33)(H,31,32).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 175658405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).