N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine

C19H18N4O4S — CID 90103116

IUPACN-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3c3cn[nH]c23)cc1OC
InChIInChI=1S/C19H18N4O4S/c1-26-16-7-4-11(8-17(16)27-2)21-19-18-14(10-20-23-18)13-6-5-12(28(3,24)25)9-15(13)22-19/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyCWVKLWVFJIZVPZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.28
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine

N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90103116) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90103116
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3c3cn[nH]c23)cc1OC
InChIInChI=1S/C19H18N4O4S/c1-26-16-7-4-11(8-17(16)27-2)21-19-18-14(10-20-23-18)13-6-5-12(28(3,24)25)9-15(13)22-19/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyCWVKLWVFJIZVPZ-UHFFFAOYSA-N
XLogP3.28
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile
CID 71139125
2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol
CID 90104616
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103691
N-[3-[7-(3,4-dimethoxyanilino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 71138114
4-methyl-6-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-1,4-benzoxazin-3-one
CID 90104257
8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103973
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 90104782
N-(3,4-dimethoxyphenyl)-5-(3-methylsulfanylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138170
N-(6-methoxy-3-pyridinyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 66574661
N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine
CID 155602005

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90103116) is N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3c3cn[nH]c23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is CWVKLWVFJIZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-26-16-7-4-11(8-17(16)27-2)21-19-18-14(10-20-23-18)13-6-5-12(28(3,24)25)9-15(13)22-19/h4-10H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 398.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90103116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).