(4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one

C19H21N3O — CID 136980452

IUPAC(4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1[nH]ncc1[C@]2(C)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-18(2)9-14-16(15(23)10-18)19(3,12-7-5-4-6-8-12)13-11-20-22-17(13)21-14/h4-8,11H,9-10H2,1-3H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyIMKJGRXMBFNOGA-IBGZPJMESA-N
MW307.40 g/mol
LogP3.78
Rot. Bonds1

About (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one

(4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one (PubChem CID 136980452) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one.

Molecular Properties

Compound Name(4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
PubChem CID136980452
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1[nH]ncc1[C@]2(C)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-18(2)9-14-16(15(23)10-18)19(3,12-7-5-4-6-8-12)13-11-20-22-17(13)21-14/h4-8,11H,9-10H2,1-3H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyIMKJGRXMBFNOGA-IBGZPJMESA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one with MolForge

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Related Compounds

(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980453
3,7,7-trimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 2763819
(4S)-4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136237017
4-(4-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 3245314
4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 3453573
4-(4-(dimethylamino)phenyl)-3,7,7-trimethyl-6,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(4H)-one
CID 5123704
3,7,7-trimethyl-4-phenyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(4H)-one
CID 1474549
3,7,7-trimethyl-4-(4-methylphenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 2997918
(4R)-3,7,7-trimethyl-4-[2-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135984462
4-[3-fluoro-2-(trifluoromethyl)phenyl]-7,7-dimethyl-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136058993
7,7-dimethyl-3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136058999
7,7-dimethyl-4-phenyl-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136059004

Frequently Asked Questions

What is the IUPAC name of (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one?
The IUPAC name of (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one (CID 136980452) is (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one.
What is the SMILES notation for (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one?
The canonical SMILES for (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one is CC1(C)CC(=O)C2=C(C1)Nc1[nH]ncc1[C@]2(C)c1ccccc1.
What is the InChIKey of (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one?
The InChIKey is IMKJGRXMBFNOGA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O/c1-18(2)9-14-16(15(23)10-18)19(3,12-7-5-4-6-8-12)13-11-20-22-17(13)21-14/h4-8,11H,9-10H2,1-3H3,(H2,20,21,22)/t19-/m0/s1.
What are the key properties of (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one?
(4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one has a molecular weight of 307.40 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 136980452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).