N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide

C18H16ClN3O2 — CID 139018563

IUPACN-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide
SMILESCC(C)N(C(=O)c1n[nH]c2ccccc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11(2)22(13-9-7-12(19)8-10-13)18(24)16-17(23)14-5-3-4-6-15(14)20-21-16/h3-11H,1-2H3,(H,20,23)
InChIKeyFHUSGOWREALKJX-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.63
Rot. Bonds3

About N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide

N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide (PubChem CID 139018563) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide
PubChem CID139018563
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide
SMILESCC(C)N(C(=O)c1n[nH]c2ccccc2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11(2)22(13-9-7-12(19)8-10-13)18(24)16-17(23)14-5-3-4-6-15(14)20-21-16/h3-11H,1-2H3,(H,20,23)
InChIKeyFHUSGOWREALKJX-UHFFFAOYSA-N
XLogP3.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-cinnoline-3-carboxamide
CID 110004538
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2651718
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572
1-(1H-indazol-3-yl)ethanone
CID 15684169
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
CID 18288172
3-butan-2-yl-1H-cinnolin-4-one
CID 54104020
(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
CID 2534607
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
CID 15045876
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25350599
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide (CID 139018563) is N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide is CC(C)N(C(=O)c1n[nH]c2ccccc2c1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide?
The InChIKey is FHUSGOWREALKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11(2)22(13-9-7-12(19)8-10-13)18(24)16-17(23)14-5-3-4-6-15(14)20-21-16/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide?
N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-oxo-N-propan-2-yl-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 139018563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).