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

C19H18N4O3 — CID 135599862

IUPAC3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(OCCO)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C19H18N4O3/c1-11-6-7-12(26-9-8-24)10-15(11)23-18(20)16-17(22-23)13-4-2-3-5-14(13)21-19(16)25/h2-7,10,24H,8-9,20H2,1H3,(H,21,25)
InChIKeyFRNOSHMTYNYPNV-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.13
Rot. Bonds4

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

3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599862) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599862
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(OCCO)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C19H18N4O3/c1-11-6-7-12(26-9-8-24)10-15(11)23-18(20)16-17(22-23)13-4-2-3-5-14(13)21-19(16)25/h2-7,10,24H,8-9,20H2,1H3,(H,21,25)
InChIKeyFRNOSHMTYNYPNV-UHFFFAOYSA-N
XLogP2.13
TPSA106.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-(2,5-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599935
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599934
3-amino-2-(2,4-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-phenoxy-2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600024
3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599922
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide
CID 135600007
3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599897
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599862) is 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1ccc(OCCO)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12.
What is the InChIKey of 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is FRNOSHMTYNYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-6-7-12(26-9-8-24)10-15(11)23-18(20)16-17(22-23)13-4-2-3-5-14(13)21-19(16)25/h2-7,10,24H,8-9,20H2,1H3,(H,21,25).
What are the key properties of 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 350.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[5-(2-hydroxyethoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).