1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one

C18H19N3O2 — CID 135472225

IUPAC1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one
SMILESCOc1ccc(-n2nc(C)c3c(=O)c4c([nH]c32)CCCC4)cc1
InChIInChI=1S/C18H19N3O2/c1-11-16-17(22)14-5-3-4-6-15(14)19-18(16)21(20-11)12-7-9-13(23-2)10-8-12/h7-10H,3-6H2,1-2H3,(H,19,22)
InChIKeyFCTDOXAIPKVGEC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one

1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135472225) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135472225
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one
SMILESCOc1ccc(-n2nc(C)c3c(=O)c4c([nH]c32)CCCC4)cc1
InChIInChI=1S/C18H19N3O2/c1-11-16-17(22)14-5-3-4-6-15(14)19-18(16)21(20-11)12-7-9-13(23-2)10-8-12/h7-10H,3-6H2,1-2H3,(H,19,22)
InChIKeyFCTDOXAIPKVGEC-UHFFFAOYSA-N
XLogP2.91
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
2-{[1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727739
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
2-(4-(4-acetylphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid
CID 52941463
5-methoxy-2-(4-(4-methoxyphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid
CID 52941986
5-methoxy-2-(3-methyl-1-o-tolyl-4-p-tolyl-1H-pyrazol-5-ylamino)benzoic acid
CID 52942696
2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid
CID 52943163
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
9-(4-Methoxyphenyl)-2-methyl-3-phenyl-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8-ol
CID 4971206
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one (CID 135472225) is 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one is COc1ccc(-n2nc(C)c3c(=O)c4c([nH]c32)CCCC4)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is FCTDOXAIPKVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-16-17(22)14-5-3-4-6-15(14)19-18(16)21(20-11)12-7-9-13(23-2)10-8-12/h7-10H,3-6H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135472225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).