1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C20H20N4O — CID 167848457

IUPAC1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20N4O/c21-20(25)18-8-4-10-19-17(18)9-5-11-23(19)13-15-12-22-24(14-15)16-6-2-1-3-7-16/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,25)
InChIKeyBVWAGUFCNAYTGE-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.92
Rot. Bonds4

About 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 167848457) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID167848457
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20N4O/c21-20(25)18-8-4-10-19-17(18)9-5-11-23(19)13-15-12-22-24(14-15)16-6-2-1-3-7-16/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,25)
InChIKeyBVWAGUFCNAYTGE-UHFFFAOYSA-N
XLogP2.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 111495995
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166183
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
(3S,4S)-1-[(1-phenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120942837
1-[(3-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167806762
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78851425
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 138003201
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897376

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 167848457) is 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide is NC(=O)c1cccc2c1CCCN2Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is BVWAGUFCNAYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-20(25)18-8-4-10-19-17(18)9-5-11-23(19)13-15-12-22-24(14-15)16-6-2-1-3-7-16/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,25).
What are the key properties of 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 167848457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).