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

C19H17ClN4O2 — CID 135599859

IUPAC2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cl)c(-n2nc3c(c2N(C)C)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C19H17ClN4O2/c1-23(2)19-16-17(12-6-4-5-7-14(12)21-18(16)25)22-24(19)15-10-11(26-3)8-9-13(15)20/h4-10H,1-3H3,(H,21,25)
InChIKeyYTYJISARVGGTTD-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.60
Rot. Bonds3

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

2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599859) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599859
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cl)c(-n2nc3c(c2N(C)C)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C19H17ClN4O2/c1-23(2)19-16-17(12-6-4-5-7-14(12)21-18(16)25)22-24(19)15-10-11(26-3)8-9-13(15)20/h4-10H,1-3H3,(H,21,25)
InChIKeyYTYJISARVGGTTD-UHFFFAOYSA-N
XLogP3.60
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methoxy-phenyl)-3-methyl-1,9-dihydro-pyrazolo[3,4-b]quinolin-4-one
CID 135464119
6-Chloro-9-hydroxy-1-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]quinolin-4-one
CID 49830934
1-(3-methoxyphenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136026550
US9598423, Example 170
CID 118062081
3-Amino-2-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23154015
3-Amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23154137
3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599889
3-Amino-2-(5-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23153837
3-Amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153860
2-(2-Chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153863
3-Amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one
CID 23153889
3-Amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153899

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599859) is 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cl)c(-n2nc3c(c2N(C)C)c(=O)[nH]c2ccccc23)c1.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is YTYJISARVGGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-23(2)19-16-17(12-6-4-5-7-14(12)21-18(16)25)22-24(19)15-10-11(26-3)8-9-13(15)20/h4-10H,1-3H3,(H,21,25).
What are the key properties of 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one?
2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 368.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)-3-(dimethylamino)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).