N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide

C20H17N3O2 — CID 110390170

IUPACN-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
SMILESCc1cc2cc(CCC(=O)Nc3cccc(C#N)c3)ccc2[nH]c1=O
InChIInChI=1S/C20H17N3O2/c1-13-9-16-10-14(5-7-18(16)23-20(13)25)6-8-19(24)22-17-4-2-3-15(11-17)12-21/h2-5,7,9-11H,6,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyASXBKLFRZXIPIE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.28
Rot. Bonds4

About N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide

N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide (PubChem CID 110390170) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
PubChem CID110390170
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
SMILESCc1cc2cc(CCC(=O)Nc3cccc(C#N)c3)ccc2[nH]c1=O
InChIInChI=1S/C20H17N3O2/c1-13-9-16-10-14(5-7-18(16)23-20(13)25)6-8-19(24)22-17-4-2-3-15(11-17)12-21/h2-5,7,9-11H,6,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyASXBKLFRZXIPIE-UHFFFAOYSA-N
XLogP3.28
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390145
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-(2-methylphenyl)propanamide
CID 110390135
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012
N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331601
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035
N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390127
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113001935

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide (CID 110390170) is N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide is Cc1cc2cc(CCC(=O)Nc3cccc(C#N)c3)ccc2[nH]c1=O.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The InChIKey is ASXBKLFRZXIPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-9-16-10-14(5-7-18(16)23-20(13)25)6-8-19(24)22-17-4-2-3-15(11-17)12-21/h2-5,7,9-11H,6,8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 110390170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).