N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide

C23H25N3O4S — CID 134537515

IUPACN-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3NS(C)(=O)=O)ccc21
InChIInChI=1S/C23H25N3O4S/c1-4-26-21-12-11-16(13-19(21)18(14-22(26)27)15-9-10-15)25(2)23(28)17-7-5-6-8-20(17)24-31(3,29)30/h5-8,11-15,24H,4,9-10H2,1-3H3
InChIKeyOHLPBUTWGQVUHH-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.55
Rot. Bonds6

About N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide

N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide (PubChem CID 134537515) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide
PubChem CID134537515
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3NS(C)(=O)=O)ccc21
InChIInChI=1S/C23H25N3O4S/c1-4-26-21-12-11-16(13-19(21)18(14-22(26)27)15-9-10-15)25(2)23(28)17-7-5-6-8-20(17)24-31(3,29)30/h5-8,11-15,24H,4,9-10H2,1-3H3
InChIKeyOHLPBUTWGQVUHH-UHFFFAOYSA-N
XLogP3.55
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide (CID 134537515) is N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide is CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is OHLPBUTWGQVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-4-26-21-12-11-16(13-19(21)18(14-22(26)27)15-9-10-15)25(2)23(28)17-7-5-6-8-20(17)24-31(3,29)30/h5-8,11-15,24H,4,9-10H2,1-3H3.
What are the key properties of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide?
N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 134537515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).