7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline

C19H21N5O3S — CID 169410481

IUPAC7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline
SMILESCN(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2c1nc2ccccc2n1C
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)22-12-8-9-13-14(11-18(25)20-16(13)10-12)19-21-15-6-4-5-7-17(15)24(19)3/h4-10,14,22H,11H2,1-3H3,(H,20,25)
InChIKeyYFXTZTVDQMFQIC-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.27
Rot. Bonds4

About 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline

7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline (PubChem CID 169410481) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline
PubChem CID169410481
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline
SMILESCN(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2c1nc2ccccc2n1C
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)22-12-8-9-13-14(11-18(25)20-16(13)10-12)19-21-15-6-4-5-7-17(15)24(19)3/h4-10,14,22H,11H2,1-3H3,(H,20,25)
InChIKeyYFXTZTVDQMFQIC-UHFFFAOYSA-N
XLogP2.27
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(dimethylsulfamoylamino)-4-(3-methylimidazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline
CID 169414839
7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
CID 171912866
4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline
CID 171388900
N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
CID 95119585
(4R)-4-(1-methylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080429
4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964896
(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793670
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
(4R)-4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793676
3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
4-[(4S)-3-methyl-1-(1-methylbenzimidazol-2-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 136716304

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline?
The IUPAC name of 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline (CID 169410481) is 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline?
The canonical SMILES for 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline is CN(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2c1nc2ccccc2n1C.
What is the InChIKey of 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline?
The InChIKey is YFXTZTVDQMFQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-23(2)28(26,27)22-12-8-9-13-14(11-18(25)20-16(13)10-12)19-21-15-6-4-5-7-17(15)24(19)3/h4-10,14,22H,11H2,1-3H3,(H,20,25).
What are the key properties of 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline?
7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline has a molecular weight of 399.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 169410481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).