1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide

C19H21N3O4S — CID 110383928

IUPAC1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide
SMILESCN1C(=O)CCc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C19H21N3O4S/c1-22-17-8-4-15(12-14(17)5-9-18(22)23)19(24)21-11-10-13-2-6-16(7-3-13)27(20,25)26/h2-4,6-8,12H,5,9-11H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyWTRZFCSJTXNHCF-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.22
Rot. Bonds5

About 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide

1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide (PubChem CID 110383928) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide
PubChem CID110383928
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide
SMILESCN1C(=O)CCc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C19H21N3O4S/c1-22-17-8-4-15(12-14(17)5-9-18(22)23)19(24)21-11-10-13-2-6-16(7-3-13)27(20,25)26/h2-4,6-8,12H,5,9-11H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyWTRZFCSJTXNHCF-UHFFFAOYSA-N
XLogP1.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788721
3-methoxy-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788711
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26824231
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide (CID 110383928) is 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide is CN1C(=O)CCc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide?
The InChIKey is WTRZFCSJTXNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22-17-8-4-15(12-14(17)5-9-18(22)23)19(24)21-11-10-13-2-6-16(7-3-13)27(20,25)26/h2-4,6-8,12H,5,9-11H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide?
1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinoline-6-carboxamide is sourced from PubChem (CID 110383928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).