3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C26H24N4O3 — CID 23154140

IUPAC3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4C)nc3c3ccccc32)cc1
InChIInChI=1S/C26H24N4O3/c1-16-8-11-19(33-3)14-22(16)30-25(27)23-24(28-30)20-6-4-5-7-21(20)29(26(23)31)15-17-9-12-18(32-2)13-10-17/h4-14H,15,27H2,1-3H3
InChIKeyPNWNWTYVLYWZMO-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.30
Rot. Bonds5

About 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23154140) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23154140
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4C)nc3c3ccccc32)cc1
InChIInChI=1S/C26H24N4O3/c1-16-8-11-19(33-3)14-22(16)30-25(27)23-24(28-30)20-6-4-5-7-21(20)29(26(23)31)15-17-9-12-18(32-2)13-10-17/h4-14H,15,27H2,1-3H3
InChIKeyPNWNWTYVLYWZMO-UHFFFAOYSA-N
XLogP4.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-Amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
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2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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9-(2-aminoethoxy)-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971391
9-[3-(dimethylamino)propoxy]-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971394
9-(2-morpholin-4-ylethoxy)-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971407
9-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971410
4-(3-methoxybenzyl)-2-methylpyrazolo[1,5-a]quinazolin-5(4H)-one
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5-Amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide
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5-Amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342041

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23154140) is 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4C)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is PNWNWTYVLYWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-8-11-19(33-3)14-22(16)30-25(27)23-24(28-30)20-6-4-5-7-21(20)29(26(23)31)15-17-9-12-18(32-2)13-10-17/h4-14H,15,27H2,1-3H3.
What are the key properties of 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 440.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23154140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).