6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide

C26H21N3O5 — CID 135525412

IUPAC6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)NC(=O)c2cc(-c3ccccc3O)nc3ccc(C(C)=O)cc23)cc1
InChIInChI=1S/C26H21N3O5/c1-15(30)16-7-12-22-20(13-16)21(14-23(28-22)19-5-3-4-6-24(19)31)25(32)29-26(33)27-17-8-10-18(34-2)11-9-17/h3-14,31H,1-2H3,(H2,27,29,32,33)
InChIKeyIBBPECVDBUNAQV-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.78
Rot. Bonds5

About 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide

6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide (PubChem CID 135525412) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide
PubChem CID135525412
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)NC(=O)c2cc(-c3ccccc3O)nc3ccc(C(C)=O)cc23)cc1
InChIInChI=1S/C26H21N3O5/c1-15(30)16-7-12-22-20(13-16)21(14-23(28-22)19-5-3-4-6-24(19)31)25(32)29-26(33)27-17-8-10-18(34-2)11-9-17/h3-14,31H,1-2H3,(H2,27,29,32,33)
InChIKeyIBBPECVDBUNAQV-UHFFFAOYSA-N
XLogP4.78
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetyl-N-[(4-methylphenyl)carbamoyl]-2-(4-nitrophenyl)quinoline-4-carboxamide
CID 11754377
6-acetyl-N-[(2-methylphenyl)carbamoyl]-2-phenylquinoline-4-carboxamide
CID 10410045
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide?
The IUPAC name of 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide (CID 135525412) is 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide?
The canonical SMILES for 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide is COc1ccc(NC(=O)NC(=O)c2cc(-c3ccccc3O)nc3ccc(C(C)=O)cc23)cc1.
What is the InChIKey of 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide?
The InChIKey is IBBPECVDBUNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-15(30)16-7-12-22-20(13-16)21(14-23(28-22)19-5-3-4-6-24(19)31)25(32)29-26(33)27-17-8-10-18(34-2)11-9-17/h3-14,31H,1-2H3,(H2,27,29,32,33).
What are the key properties of 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide?
6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)carbamoyl]quinoline-4-carboxamide is sourced from PubChem (CID 135525412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).