(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone

C18H19NO2S — CID 18122068

IUPAC(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(SC)cc1
InChIInChI=1S/C18H19NO2S/c1-21-15-7-10-17-14(12-15)4-3-11-19(17)18(20)13-5-8-16(22-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3
InChIKeyJCIPAFMHMSMAAS-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.01
Rot. Bonds3

About (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone (PubChem CID 18122068) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
PubChem CID18122068
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(SC)cc1
InChIInChI=1S/C18H19NO2S/c1-21-15-7-10-17-14(12-15)4-3-11-19(17)18(20)13-5-8-16(22-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3
InChIKeyJCIPAFMHMSMAAS-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
3-fluoro-4-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CID 120550731
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
CID 42925515
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42929684
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18132704

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone (CID 18122068) is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1ccc(SC)cc1.
What is the InChIKey of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is JCIPAFMHMSMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-21-15-7-10-17-14(12-15)4-3-11-19(17)18(20)13-5-8-16(22-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone?
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 313.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 18122068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).