6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C18H17Cl3N4O4S — CID 46882964

IUPAC6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1
InChIInChI=1S/C18H17Cl3N4O4S/c19-11-6-10-2-1-5-25(17(10)14(21)7-11)18(27)23-9-16(26)24-15-4-3-12(8-13(15)20)30(22,28)29/h3-4,6-8H,1-2,5,9H2,(H,23,27)(H,24,26)(H2,22,28,29)
InChIKeyIDOMXDKGBODJOB-UHFFFAOYSA-N
MW491.78 g/mol
LogP3.40
Rot. Bonds4

About 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 46882964) has the molecular formula C18H17Cl3N4O4S and a molecular weight of 491.78 g/mol. Its IUPAC name is 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID46882964
Molecular FormulaC18H17Cl3N4O4S
Molecular Weight491.78 g/mol
Exact Mass490.00
IUPAC Name6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1
InChIInChI=1S/C18H17Cl3N4O4S/c19-11-6-10-2-1-5-25(17(10)14(21)7-11)18(27)23-9-16(26)24-15-4-3-12(8-13(15)20)30(22,28)29/h3-4,6-8H,1-2,5,9H2,(H,23,27)(H,24,26)(H2,22,28,29)
InChIKeyIDOMXDKGBODJOB-UHFFFAOYSA-N
XLogP3.40
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.78
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 46882964) is 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1.
What is the InChIKey of 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is IDOMXDKGBODJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N4O4S/c19-11-6-10-2-1-5-25(17(10)14(21)7-11)18(27)23-9-16(26)24-15-4-3-12(8-13(15)20)30(22,28)29/h3-4,6-8H,1-2,5,9H2,(H,23,27)(H,24,26)(H2,22,28,29).
What are the key properties of 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 491.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 46882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).