2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C27H25ClN4O3 — CID 23153863

IUPAC2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N(C)C)n(-c4cc(OC)ccc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C27H25ClN4O3/c1-30(2)26-24-25(29-32(26)23-15-19(35-4)13-14-21(23)28)20-7-5-6-8-22(20)31(27(24)33)16-17-9-11-18(34-3)12-10-17/h5-15H,16H2,1-4H3
InChIKeyATHQKGOAZFPIAJ-UHFFFAOYSA-N
MW488.98 g/mol
LogP5.13
Rot. Bonds6

About 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153863) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153863
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N(C)C)n(-c4cc(OC)ccc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C27H25ClN4O3/c1-30(2)26-24-25(29-32(26)23-15-19(35-4)13-14-21(23)28)20-7-5-6-8-22(20)31(27(24)33)16-17-9-11-18(34-3)12-10-17/h5-15H,16H2,1-4H3
InChIKeyATHQKGOAZFPIAJ-UHFFFAOYSA-N
XLogP5.13
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153863) is 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N(C)C)n(-c4cc(OC)ccc4Cl)nc3c3ccccc32)cc1.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ATHQKGOAZFPIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-30(2)26-24-25(29-32(26)23-15-19(35-4)13-14-21(23)28)20-7-5-6-8-22(20)31(27(24)33)16-17-9-11-18(34-3)12-10-17/h5-15H,16H2,1-4H3.
What are the key properties of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 488.98 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).