N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide

C26H24N2O3 — CID 67082082

IUPACN-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(-c3ccccc3C)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-4-28(18-12-6-5-7-13-18)26(31)23-24(29)22-20(19-14-9-8-11-17(19)2)15-10-16-21(22)27(3)25(23)30/h5-16,29H,4H2,1-3H3
InChIKeyNAPZCAXXAJBJDK-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.89
Rot. Bonds4

About N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide

N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 67082082) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID67082082
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(-c3ccccc3C)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-4-28(18-12-6-5-7-13-18)26(31)23-24(29)22-20(19-14-9-8-11-17(19)2)15-10-16-21(22)27(3)25(23)30/h5-16,29H,4H2,1-3H3
InChIKeyNAPZCAXXAJBJDK-UHFFFAOYSA-N
XLogP4.89
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

zinc N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717328
N-ethyl-4-hydroxy-5-iodo-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 90346178
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
CID 159773761
N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373
sodium 5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
CID 23697158
N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 22461068
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732868
5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide
CID 90334675
N-(4-azidophenyl)-5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 91314834
5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 130205800
N-ethyl-5,9-dimethyl-3-(4-methylphenyl)-4-oxo-N-phenylpyridazino[4,5-b]indole-1-carboxamide
CID 87055362

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide (CID 67082082) is N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(-c3ccccc3C)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is NAPZCAXXAJBJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-28(18-12-6-5-7-13-18)26(31)23-24(29)22-20(19-14-9-8-11-17(19)2)15-10-16-21(22)27(3)25(23)30/h5-16,29H,4H2,1-3H3.
What are the key properties of N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide?
N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 67082082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).