(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one

C21H25NO3 — CID 27518377

IUPAC(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)CC(=O)N2
InChIInChI=1S/C21H25NO3/c1-4-14-7-9-15(10-8-14)16-12-21(23)22-18-13-20(25-6-3)19(24-5-2)11-17(16)18/h7-11,13,16H,4-6,12H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyHVLGKKAHRLHWBL-INIZCTEOSA-N
MW339.44 g/mol
LogP4.52
Rot. Bonds6

About (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one

(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 27518377) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID27518377
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)CC(=O)N2
InChIInChI=1S/C21H25NO3/c1-4-14-7-9-15(10-8-14)16-12-21(23)22-18-13-20(25-6-3)19(24-5-2)11-17(16)18/h7-11,13,16H,4-6,12H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyHVLGKKAHRLHWBL-INIZCTEOSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-diethoxy-4-(4-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312443
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2973014
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3162323
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181

Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 27518377) is (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one is CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)CC(=O)N2.
What is the InChIKey of (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HVLGKKAHRLHWBL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-14-7-9-15(10-8-14)16-12-21(23)22-18-13-20(25-6-3)19(24-5-2)11-17(16)18/h7-11,13,16H,4-6,12H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 27518377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).