5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one

C20H23NO3 — CID 17312453

IUPAC5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccc(C(C)C)cc1)CC(=O)N2
InChIInChI=1S/C20H23NO3/c1-12(2)13-5-7-14(8-6-13)16-11-19(22)21-17-9-15(23-3)10-18(24-4)20(16)17/h5-10,12,16H,11H2,1-4H3,(H,21,22)
InChIKeyDPSPHJXGZJXCGW-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.30
Rot. Bonds4

About 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one

5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17312453) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID17312453
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccc(C(C)C)cc1)CC(=O)N2
InChIInChI=1S/C20H23NO3/c1-12(2)13-5-7-14(8-6-13)16-11-19(22)21-17-9-15(23-3)10-18(24-4)20(16)17/h5-10,12,16H,11H2,1-4H3,(H,21,22)
InChIKeyDPSPHJXGZJXCGW-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997112
(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 95119643
(4R)-4-(2-ethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248757
4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169422029
4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
(4S)-5,7-dimethoxy-4-[(E)-pent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95125676
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 132569592

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 17312453) is 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(c1ccc(C(C)C)cc1)CC(=O)N2.
What is the InChIKey of 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DPSPHJXGZJXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-12(2)13-5-7-14(8-6-13)16-11-19(22)21-17-9-15(23-3)10-18(24-4)20(16)17/h5-10,12,16H,11H2,1-4H3,(H,21,22).
What are the key properties of 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 325.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17312453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).