9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one

C11H13N3O — CID 143481250

IUPAC9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one
SMILESCC1CCNc2ccc3c(=O)[nH][nH]c3c21
InChIInChI=1S/C11H13N3O/c1-6-4-5-12-8-3-2-7-10(9(6)8)13-14-11(7)15/h2-3,6,12H,4-5H2,1H3,(H2,13,14,15)
InChIKeyRKUMIAHDUNRJJS-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.78
Rot. Bonds

About 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one

9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one (PubChem CID 143481250) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one.

Molecular Properties

Compound Name9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one
PubChem CID143481250
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one
SMILESCC1CCNc2ccc3c(=O)[nH][nH]c3c21
InChIInChI=1S/C11H13N3O/c1-6-4-5-12-8-3-2-7-10(9(6)8)13-14-11(7)15/h2-3,6,12H,4-5H2,1H3,(H2,13,14,15)
InChIKeyRKUMIAHDUNRJJS-UHFFFAOYSA-N
XLogP1.78
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12051006
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5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
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4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CID 18367059
ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
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7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole
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CID 159990566
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
7-iodo-1,2-dihydroindazol-3-one
CID 121231706
10-methyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-one
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4,5-dimethyl-1,3-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one?
The IUPAC name of 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one (CID 143481250) is 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one.
What is the SMILES notation for 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one?
The canonical SMILES for 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one is CC1CCNc2ccc3c(=O)[nH][nH]c3c21.
What is the InChIKey of 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one?
The InChIKey is RKUMIAHDUNRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-4-5-12-8-3-2-7-10(9(6)8)13-14-11(7)15/h2-3,6,12H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one?
9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.78, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one is sourced from PubChem (CID 143481250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).