[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone

C22H21N5O4S — CID 90104782

IUPAC[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1ccc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C22H21N5O4S/c1-32(29,30)16-6-7-19-17(12-16)18-13-23-26-20(18)21(25-19)24-15-4-2-14(3-5-15)22(28)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyDYLXLDAPSFALGQ-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.73
Rot. Bonds4

About [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone

[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 90104782) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID90104782
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1ccc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C22H21N5O4S/c1-32(29,30)16-6-7-19-17(12-16)18-13-23-26-20(18)21(25-19)24-15-4-2-14(3-5-15)22(28)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyDYLXLDAPSFALGQ-UHFFFAOYSA-N
XLogP2.73
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

4-methyl-6-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-1,4-benzoxazin-3-one
CID 90104257
N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103974
1-[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]cyclohexane-1-carbonitrile
CID 118365640
2-methyl-4-[7-(4-morpholin-4-ylanilino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]benzoic acid
CID 118413153
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol
CID 90104616
[4-[[5-(cyclobutadienyl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 90105058
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 1116310
N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide
CID 71139516
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462

Frequently Asked Questions

What is the IUPAC name of [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 90104782) is [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone is CS(=O)(=O)c1ccc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3[nH]ncc3c2c1.
What is the InChIKey of [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is DYLXLDAPSFALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-32(29,30)16-6-7-19-17(12-16)18-13-23-26-20(18)21(25-19)24-15-4-2-14(3-5-15)22(28)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
[4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 451.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).