3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one

C23H18N4O3 — CID 135599876

IUPAC3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1cc(Oc2ccccc2O)ccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C23H18N4O3/c1-13-12-14(30-19-9-5-4-8-18(19)28)10-11-17(13)27-22(24)20-21(26-27)15-6-2-3-7-16(15)25-23(20)29/h2-12,28H,24H2,1H3,(H,25,29)
InChIKeyYPJATQKVPGKABZ-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.26
Rot. Bonds3

About 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599876) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599876
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1cc(Oc2ccccc2O)ccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C23H18N4O3/c1-13-12-14(30-19-9-5-4-8-18(19)28)10-11-17(13)27-22(24)20-21(26-27)15-6-2-3-7-16(15)25-23(20)29/h2-12,28H,24H2,1H3,(H,25,29)
InChIKeyYPJATQKVPGKABZ-UHFFFAOYSA-N
XLogP4.26
TPSA106.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599862
3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599934
3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599935
3-amino-2-[4-phenoxy-2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600024
3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600019
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
3-amino-2-(2,5-difluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599933
3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600016
3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23154085
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599922

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599876) is 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1cc(Oc2ccccc2O)ccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12.
What is the InChIKey of 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is YPJATQKVPGKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-13-12-14(30-19-9-5-4-8-18(19)28)10-11-17(13)27-22(24)20-21(26-27)15-6-2-3-7-16(15)25-23(20)29/h2-12,28H,24H2,1H3,(H,25,29).
What are the key properties of 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 398.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).