5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide

C35H32ClN3O5 — CID 122224566

IUPAC5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(C)cc3)cc3c(NC(=O)COc4ccc(Cl)cc4)cccc32)cc1
InChIInChI=1S/C35H32ClN3O5/c1-23-6-8-24(9-7-23)18-19-37-34(41)30-20-29-31(38-33(40)22-44-28-16-12-26(36)13-17-28)4-3-5-32(29)39(35(30)42)21-25-10-14-27(43-2)15-11-25/h3-17,20H,18-19,21-22H2,1-2H3,(H,37,41)(H,38,40)
InChIKeyHTAKGPMLZWPHHP-UHFFFAOYSA-N
MW610.11 g/mol
LogP6.01
Rot. Bonds11

About 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide

5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide (PubChem CID 122224566) has the molecular formula C35H32ClN3O5 and a molecular weight of 610.11 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide
PubChem CID122224566
Molecular FormulaC35H32ClN3O5
Molecular Weight610.11 g/mol
Exact Mass609.20
IUPAC Name5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(C)cc3)cc3c(NC(=O)COc4ccc(Cl)cc4)cccc32)cc1
InChIInChI=1S/C35H32ClN3O5/c1-23-6-8-24(9-7-23)18-19-37-34(41)30-20-29-31(38-33(40)22-44-28-16-12-26(36)13-17-28)4-3-5-32(29)39(35(30)42)21-25-10-14-27(43-2)15-11-25/h3-17,20H,18-19,21-22H2,1-2H3,(H,37,41)(H,38,40)
InChIKeyHTAKGPMLZWPHHP-UHFFFAOYSA-N
XLogP6.01
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.11
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 142731963
N-[2-(3-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996030
5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 134146630
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 1194588
2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993200
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N-(5-chloro-2-methylphenyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 8833683
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide (CID 122224566) is 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(C)cc3)cc3c(NC(=O)COc4ccc(Cl)cc4)cccc32)cc1.
What is the InChIKey of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is HTAKGPMLZWPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32ClN3O5/c1-23-6-8-24(9-7-23)18-19-37-34(41)30-20-29-31(38-33(40)22-44-28-16-12-26(36)13-17-28)4-3-5-32(29)39(35(30)42)21-25-10-14-27(43-2)15-11-25/h3-17,20H,18-19,21-22H2,1-2H3,(H,37,41)(H,38,40).
What are the key properties of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide?
5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 610.11 g/mol, XLogP of 6.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 122224566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).