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

C17H22N4O4S — CID 50962689

IUPACN-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
SMILESCCCn1ccnc1C1CC(=O)Nc2cc(NS(C)(=O)=O)c(OC)cc21
InChIInChI=1S/C17H22N4O4S/c1-4-6-21-7-5-18-17(21)12-9-16(22)19-13-10-14(20-26(3,23)24)15(25-2)8-11(12)13/h5,7-8,10,12,20H,4,6,9H2,1-3H3,(H,19,22)
InChIKeyDGKRUOOSTRPZHJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.15
Rot. Bonds6

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

N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide (PubChem CID 50962689) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
PubChem CID50962689
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
SMILESCCCn1ccnc1C1CC(=O)Nc2cc(NS(C)(=O)=O)c(OC)cc21
InChIInChI=1S/C17H22N4O4S/c1-4-6-21-7-5-18-17(21)12-9-16(22)19-13-10-14(20-26(3,23)24)15(25-2)8-11(12)13/h5,7-8,10,12,20H,4,6,9H2,1-3H3,(H,19,22)
InChIKeyDGKRUOOSTRPZHJ-UHFFFAOYSA-N
XLogP2.15
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide (CID 50962689) is N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide is CCCn1ccnc1C1CC(=O)Nc2cc(NS(C)(=O)=O)c(OC)cc21.
What is the InChIKey of N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
The InChIKey is DGKRUOOSTRPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-4-6-21-7-5-18-17(21)12-9-16(22)19-13-10-14(20-26(3,23)24)15(25-2)8-11(12)13/h5,7-8,10,12,20H,4,6,9H2,1-3H3,(H,19,22).
What are the key properties of N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide?
N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-oxo-4-(1-propylimidazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 50962689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).