6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one

C19H17NO5S — CID 30713933

IUPAC6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C19H17NO5S/c1-24-15-5-7-17-13(11-15)3-2-10-20(17)26(22,23)16-6-8-18-14(12-16)4-9-19(21)25-18/h4-9,11-12H,2-3,10H2,1H3
InChIKeyMJDPZORRSZICRZ-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.94
Rot. Bonds3

About 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one

6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one (PubChem CID 30713933) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one.

Molecular Properties

Compound Name6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
PubChem CID30713933
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C19H17NO5S/c1-24-15-5-7-17-13(11-15)3-2-10-20(17)26(22,23)16-6-8-18-14(12-16)4-9-19(21)25-18/h4-9,11-12H,2-3,10H2,1H3
InChIKeyMJDPZORRSZICRZ-UHFFFAOYSA-N
XLogP2.94
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one
CID 4050913
5-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1-methyl-3H-indol-2-one
CID 24602697
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one
CID 31781989
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole
CID 110760559
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 27443573
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]furan-2-carboxamide
CID 27443601

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one?
The IUPAC name of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one (CID 30713933) is 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one.
What is the SMILES notation for 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one?
The canonical SMILES for 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one is COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one?
The InChIKey is MJDPZORRSZICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-24-15-5-7-17-13(11-15)3-2-10-20(17)26(22,23)16-6-8-18-14(12-16)4-9-19(21)25-18/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one?
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one has a molecular weight of 371.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one is sourced from PubChem (CID 30713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).