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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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).