2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide

C19H16N4O2 — CID 167990722

IUPAC2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide
SMILESO=C1CCc2c(cccc2C(=O)Nc2ccc(-c3ccn[nH]3)cc2)N1
InChIInChI=1S/C19H16N4O2/c24-18-9-8-14-15(2-1-3-17(14)22-18)19(25)21-13-6-4-12(5-7-13)16-10-11-20-23-16/h1-7,10-11H,8-9H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNSCHUUKUVCHCQX-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.21
Rot. Bonds3

About 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide

2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide (PubChem CID 167990722) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide
PubChem CID167990722
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide
SMILESO=C1CCc2c(cccc2C(=O)Nc2ccc(-c3ccn[nH]3)cc2)N1
InChIInChI=1S/C19H16N4O2/c24-18-9-8-14-15(2-1-3-17(14)22-18)19(25)21-13-6-4-12(5-7-13)16-10-11-20-23-16/h1-7,10-11H,8-9H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNSCHUUKUVCHCQX-UHFFFAOYSA-N
XLogP3.21
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299
2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763782
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 59802884
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
3-nitro-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779436
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)naphthalene-1-carboxamide
CID 40947091
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
CID 61284929
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide?
The IUPAC name of 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide (CID 167990722) is 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide is O=C1CCc2c(cccc2C(=O)Nc2ccc(-c3ccn[nH]3)cc2)N1.
What is the InChIKey of 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide?
The InChIKey is NSCHUUKUVCHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18-9-8-14-15(2-1-3-17(14)22-18)19(25)21-13-6-4-12(5-7-13)16-10-11-20-23-16/h1-7,10-11H,8-9H2,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide?
2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide is sourced from PubChem (CID 167990722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).