3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one

C19H19N3O — CID 136932277

IUPAC3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one
SMILESCc1[nH]nc2c1C(c1ccccc1)C1=C(CC3(CC3)CC1=O)N2
InChIInChI=1S/C19H19N3O/c1-11-15-16(12-5-3-2-4-6-12)17-13(20-18(15)22-21-11)9-19(7-8-19)10-14(17)23/h2-6,16H,7-10H2,1H3,(H2,20,21,22)
InChIKeyQYVFVIYILSPRME-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.67
Rot. Bonds1

About 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one

3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one (PubChem CID 136932277) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one.

Molecular Properties

Compound Name3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one
PubChem CID136932277
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one
SMILESCc1[nH]nc2c1C(c1ccccc1)C1=C(CC3(CC3)CC1=O)N2
InChIInChI=1S/C19H19N3O/c1-11-15-16(12-5-3-2-4-6-12)17-13(20-18(15)22-21-11)9-19(7-8-19)10-14(17)23/h2-6,16H,7-10H2,1H3,(H2,20,21,22)
InChIKeyQYVFVIYILSPRME-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one with MolForge

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Related Compounds

3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one
CID 153258879
(4S)-4-(4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 1474563
4-(3-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 2998075
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
2-(3,7-dimethyl-5-oxo-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-7-yl)-7,7-diethyl-3-methyl-4-phenyl-4,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980576
N-[4-[(4S)-3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl]phenyl]acetamide
CID 1478031
(8S)-6-methyl-8-[4-[(8S)-6-methyl-10-oxo-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-8-yl]phenyl]-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930187
(8R)-6-methyl-8-[4-[(8R)-6-methyl-10-oxo-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-8-yl]phenyl]-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930189
(4S)-3,7,7-trimethyl-4-[2-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135984463
9-[4-[9-[5-[7,7-dimethyl-5-oxo-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl]-2-pyridinyl]-3-methyl-5-oxospiro[2,4,6,8-tetrahydropyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-4-yl]phenyl]-3-methyl-4-phenylspiro[2,4,6,8-tetrahydropyrazolo[3,4-b]quinoline-7,1'-cyclobutane]-5-one
CID 167078281
3,7,7-trimethyl-4-(3-methylphenyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;(4R)-3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 164948822
(4S)-3-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136750801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one?
The IUPAC name of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one (CID 136932277) is 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one.
What is the SMILES notation for 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one?
The canonical SMILES for 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one is Cc1[nH]nc2c1C(c1ccccc1)C1=C(CC3(CC3)CC1=O)N2.
What is the InChIKey of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one?
The InChIKey is QYVFVIYILSPRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-11-15-16(12-5-3-2-4-6-12)17-13(20-18(15)22-21-11)9-19(7-8-19)10-14(17)23/h2-6,16H,7-10H2,1H3,(H2,20,21,22).
What are the key properties of 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one?
3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one has a molecular weight of 305.38 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopropane]-5-one is sourced from PubChem (CID 136932277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).