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

C32H28N4O4 — CID 23154085

IUPAC3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5OC)cc4C)nc3c3ccccc32)cc1
InChIInChI=1S/C32H28N4O4/c1-20-18-23(40-28-11-7-6-10-27(28)39-3)16-17-25(20)36-31(33)29-30(34-36)24-8-4-5-9-26(24)35(32(29)37)19-21-12-14-22(38-2)15-13-21/h4-18H,19,33H2,1-3H3
InChIKeyDQLGJYKXFUOLIU-UHFFFAOYSA-N
MW532.60 g/mol
LogP6.09
Rot. Bonds7

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

3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23154085) has the molecular formula C32H28N4O4 and a molecular weight of 532.60 g/mol. Its IUPAC name is 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23154085
Molecular FormulaC32H28N4O4
Molecular Weight532.60 g/mol
Exact Mass532.21
IUPAC Name3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5OC)cc4C)nc3c3ccccc32)cc1
InChIInChI=1S/C32H28N4O4/c1-20-18-23(40-28-11-7-6-10-27(28)39-3)16-17-25(20)36-31(33)29-30(34-36)24-8-4-5-9-26(24)35(32(29)37)19-21-12-14-22(38-2)15-13-21/h4-18H,19,33H2,1-3H3
InChIKeyDQLGJYKXFUOLIU-UHFFFAOYSA-N
XLogP6.09
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153910
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600019
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate
CID 23200342
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
5-[(3-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026380
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026416
5-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrimido[5,4-b]indol-4-one
CID 53026415
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23154085) is 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5OC)cc4C)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is DQLGJYKXFUOLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O4/c1-20-18-23(40-28-11-7-6-10-27(28)39-3)16-17-25(20)36-31(33)29-30(34-36)24-8-4-5-9-26(24)35(32(29)37)19-21-12-14-22(38-2)15-13-21/h4-18H,19,33H2,1-3H3.
What are the key properties of 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 532.60 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2-methoxyphenoxy)-2-methylphenyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23154085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).