N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide

C19H23N3O4S — CID 50963632

IUPACN-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)C(c1ccc(N(C)C)cc1)CC(=O)N2
InChIInChI=1S/C19H23N3O4S/c1-22(2)13-7-5-12(6-8-13)14-10-19(23)20-16-11-18(26-3)17(9-15(14)16)21-27(4,24)25/h5-9,11,14,21H,10H2,1-4H3,(H,20,23)
InChIKeyVSINZPVERZPTHC-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.61
Rot. Bonds5

About N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide

N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide (PubChem CID 50963632) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide
PubChem CID50963632
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)C(c1ccc(N(C)C)cc1)CC(=O)N2
InChIInChI=1S/C19H23N3O4S/c1-22(2)13-7-5-12(6-8-13)14-10-19(23)20-16-11-18(26-3)17(9-15(14)16)21-27(4,24)25/h5-9,11,14,21H,10H2,1-4H3,(H,20,23)
InChIKeyVSINZPVERZPTHC-UHFFFAOYSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
(4S)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 707554
N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
CID 50962689
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide (CID 50963632) is N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide is COc1cc2c(cc1NS(C)(=O)=O)C(c1ccc(N(C)C)cc1)CC(=O)N2.
What is the InChIKey of N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide?
The InChIKey is VSINZPVERZPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-22(2)13-7-5-12(6-8-13)14-10-19(23)20-16-11-18(26-3)17(9-15(14)16)21-27(4,24)25/h5-9,11,14,21H,10H2,1-4H3,(H,20,23).
What are the key properties of N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide?
N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 50963632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).