2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C20H21ClN4O2 — CID 178187720

IUPAC2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)C1NN(c3ccc(Cl)cc3)C(=O)C1CN2
InChIInChI=1S/C20H21ClN4O2/c1-11(2)23-19(26)12-3-8-17-15(9-12)18-16(10-22-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-9,11,16,18,22,24H,10H2,1-2H3,(H,23,26)
InChIKeyAOMIRIKMWWJHBO-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 178187720) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID178187720
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)C1NN(c3ccc(Cl)cc3)C(=O)C1CN2
InChIInChI=1S/C20H21ClN4O2/c1-11(2)23-19(26)12-3-8-17-15(9-12)18-16(10-22-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-9,11,16,18,22,24H,10H2,1-2H3,(H,23,26)
InChIKeyAOMIRIKMWWJHBO-UHFFFAOYSA-N
XLogP3.11
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 178186658
4-chloro-N-propan-2-ylbenzamide
CID 24045
3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide
CID 174799453
4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
3-chloro-N-propan-2-ylbenzamide
CID 669184
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 81355683
4-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-propan-2-ylbenzamide
CID 1472511
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-propan-2-ylbenzamide
CID 1472510
N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11618461

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 178187720) is 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is CC(C)NC(=O)c1ccc2c(c1)C1NN(c3ccc(Cl)cc3)C(=O)C1CN2.
What is the InChIKey of 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is AOMIRIKMWWJHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-11(2)23-19(26)12-3-8-17-15(9-12)18-16(10-22-17)20(27)25(24-18)14-6-4-13(21)5-7-14/h3-9,11,16,18,22,24H,10H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-oxo-N-propan-2-yl-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 178187720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).