N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

C20H17N3O2 — CID 39849384

IUPACN-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3ccccc3C#N)ccc21
InChIInChI=1S/C20H17N3O2/c1-3-23-13(2)10-19(24)16-11-14(8-9-18(16)23)20(25)22-17-7-5-4-6-15(17)12-21/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyQABLOOUYPQEPRR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.45
Rot. Bonds3

About N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (PubChem CID 39849384) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
PubChem CID39849384
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3ccccc3C#N)ccc21
InChIInChI=1S/C20H17N3O2/c1-3-23-13(2)10-19(24)16-11-14(8-9-18(16)23)20(25)22-17-7-5-4-6-15(17)12-21/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyQABLOOUYPQEPRR-UHFFFAOYSA-N
XLogP3.45
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42537474
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849595
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849579
1-ethyl-2-methyl-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-6-carboxamide
CID 27260849
1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
CID 42534269
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678204

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (CID 39849384) is N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccccc3C#N)ccc21.
What is the InChIKey of N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The InChIKey is QABLOOUYPQEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-3-23-13(2)10-19(24)16-11-14(8-9-18(16)23)20(25)22-17-7-5-4-6-15(17)12-21/h4-11H,3H2,1-2H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is sourced from PubChem (CID 39849384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).