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

C26H24N4O3 — CID 23153827

IUPAC3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(CCO)cc4)nc3c3ccccc32)cc1
InChIInChI=1S/C26H24N4O3/c1-33-20-12-8-18(9-13-20)16-29-22-5-3-2-4-21(22)24-23(26(29)32)25(27)30(28-24)19-10-6-17(7-11-19)14-15-31/h2-13,31H,14-16,27H2,1H3
InChIKeyYSKOKKURYYQHEQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.51
Rot. Bonds6

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

3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153827) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153827
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(CCO)cc4)nc3c3ccccc32)cc1
InChIInChI=1S/C26H24N4O3/c1-33-20-12-8-18(9-13-20)16-29-22-5-3-2-4-21(22)24-23(26(29)32)25(27)30(28-24)19-10-6-17(7-11-19)14-15-31/h2-13,31H,14-16,27H2,1H3
InChIKeyYSKOKKURYYQHEQ-UHFFFAOYSA-N
XLogP3.51
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153827) is 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(CCO)cc4)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is YSKOKKURYYQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-33-20-12-8-18(9-13-20)16-29-22-5-3-2-4-21(22)24-23(26(29)32)25(27)30(28-24)19-10-6-17(7-11-19)14-15-31/h2-13,31H,14-16,27H2,1H3.
What are the key properties of 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 440.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2-hydroxyethyl)phenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).