(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C20H23NO2 — CID 40645363

IUPAC(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)[C@H](c1cccc(OC(C)C)c1)CC(=O)N2
InChIInChI=1S/C20H23NO2/c1-12(2)23-16-7-5-6-15(10-16)17-11-20(22)21-19-9-14(4)13(3)8-18(17)19/h5-10,12,17H,11H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyWTGBCDKKSZSWTA-KRWDZBQOSA-N
MW309.41 g/mol
LogP4.56
Rot. Bonds3

About (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one

(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 40645363) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID40645363
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)[C@H](c1cccc(OC(C)C)c1)CC(=O)N2
InChIInChI=1S/C20H23NO2/c1-12(2)23-16-7-5-6-15(10-16)17-11-20(22)21-19-9-14(4)13(3)8-18(17)19/h5-10,12,17H,11H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyWTGBCDKKSZSWTA-KRWDZBQOSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
4-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 53368870
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122358
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725

Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 40645363) is (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)[C@H](c1cccc(OC(C)C)c1)CC(=O)N2.
What is the InChIKey of (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WTGBCDKKSZSWTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12(2)23-16-7-5-6-15(10-16)17-11-20(22)21-19-9-14(4)13(3)8-18(17)19/h5-10,12,17H,11H2,1-4H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 309.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 40645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).