3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one

C23H24N2O4 — CID 110298983

IUPAC3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(CCC(=O)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H24N2O4/c1-28-20-13-17-12-16(23(27)24-18(17)14-21(20)29-2)9-10-22(26)25-11-5-7-15-6-3-4-8-19(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3,(H,24,27)
InChIKeyPJVCAPAMBZPSCE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.46
Rot. Bonds5

About 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 110298983) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID110298983
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(CCC(=O)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H24N2O4/c1-28-20-13-17-12-16(23(27)24-18(17)14-21(20)29-2)9-10-22(26)25-11-5-7-15-6-3-4-8-19(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3,(H,24,27)
InChIKeyPJVCAPAMBZPSCE-UHFFFAOYSA-N
XLogP3.46
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

6-methoxy-3-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110416263
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 82183966
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
CID 30271420
3-[3-oxo-3-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propyl]-1H-quinolin-2-one
CID 110355057
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 56690048
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 100601838
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 110298983) is 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc(CCC(=O)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is PJVCAPAMBZPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-20-13-17-12-16(23(27)24-18(17)14-21(20)29-2)9-10-22(26)25-11-5-7-15-6-3-4-8-19(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3,(H,24,27).
What are the key properties of 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 110298983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).