1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H20N4O — CID 137375547

IUPAC1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C23H20N4O/c28-23(25-21-15-14-16-8-4-6-12-19(16)24-21)22-18-11-5-7-13-20(18)27(26-22)17-9-2-1-3-10-17/h1-4,6,8-10,12,14-15H,5,7,11,13H2,(H,24,25,28)
InChIKeyFOFGZVDDEZWAMM-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.55
Rot. Bonds3

About 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 137375547) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID137375547
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C23H20N4O/c28-23(25-21-15-14-16-8-4-6-12-19(16)24-21)22-18-11-5-7-13-20(18)27(26-22)17-9-2-1-3-10-17/h1-4,6,8-10,12,14-15H,5,7,11,13H2,(H,24,25,28)
InChIKeyFOFGZVDDEZWAMM-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
5-Amino-1-Tert-Butyl-3-(Quinolin-2-Yl)-1h-Pyrazole-4-Carboxamide
CID 71737847
N-(2-quinolinyl)benzamide
CID 2812454
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-[2-[(1R,3S,5R)-3-[(6-iodo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720766
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
CID 135870688
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375514
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 137375547) is 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is FOFGZVDDEZWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(25-21-15-14-16-8-4-6-12-19(16)24-21)22-18-11-5-7-13-20(18)27(26-22)17-9-2-1-3-10-17/h1-4,6,8-10,12,14-15H,5,7,11,13H2,(H,24,25,28).
What are the key properties of 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 137375547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).