6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C17H16ClN3O4S — CID 167904573

IUPAC6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=C1CCc2cc(Cl)c(S(=O)(=O)N3CCc4[nH]c(=O)ccc4C3)cc2N1
InChIInChI=1S/C17H16ClN3O4S/c18-12-7-10-1-3-17(23)20-14(10)8-15(12)26(24,25)21-6-5-13-11(9-21)2-4-16(22)19-13/h2,4,7-8H,1,3,5-6,9H2,(H,19,22)(H,20,23)
InChIKeyOBOAETDDPIVMOW-UHFFFAOYSA-N
MW393.85 g/mol
LogP1.66
Rot. Bonds2

About 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 167904573) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID167904573
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=C1CCc2cc(Cl)c(S(=O)(=O)N3CCc4[nH]c(=O)ccc4C3)cc2N1
InChIInChI=1S/C17H16ClN3O4S/c18-12-7-10-1-3-17(23)20-14(10)8-15(12)26(24,25)21-6-5-13-11(9-21)2-4-16(22)19-13/h2,4,7-8H,1,3,5-6,9H2,(H,19,22)(H,20,23)
InChIKeyOBOAETDDPIVMOW-UHFFFAOYSA-N
XLogP1.66
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 167988131
6-bromo-7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119961805
7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 43165341
6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 24590338
6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 119963511
6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 86962368
6-chloro-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 43502850
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
3-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1H-pyridazin-6-one
CID 50763983
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-bromo-7-[(3S)-3-methylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 124695223

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 167904573) is 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCc4[nH]c(=O)ccc4C3)cc2N1.
What is the InChIKey of 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is OBOAETDDPIVMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-12-7-10-1-3-17(23)20-14(10)8-15(12)26(24,25)21-6-5-13-11(9-21)2-4-16(22)19-13/h2,4,7-8H,1,3,5-6,9H2,(H,19,22)(H,20,23).
What are the key properties of 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 393.85 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 167904573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).