2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one

C19H21NO3 — CID 110538069

IUPAC2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESCCCOc1cc(C2CC(=O)c3ccccc3N2)ccc1OC
InChIInChI=1S/C19H21NO3/c1-3-10-23-19-11-13(8-9-18(19)22-2)16-12-17(21)14-6-4-5-7-15(14)20-16/h4-9,11,16,20H,3,10,12H2,1-2H3
InChIKeyLCPBEGHOMPXWNM-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one

2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 110538069) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID110538069
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESCCCOc1cc(C2CC(=O)c3ccccc3N2)ccc1OC
InChIInChI=1S/C19H21NO3/c1-3-10-23-19-11-13(8-9-18(19)22-2)16-12-17(21)14-6-4-5-7-15(14)20-16/h4-9,11,16,20H,3,10,12H2,1-2H3
InChIKeyLCPBEGHOMPXWNM-UHFFFAOYSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
CID 110532677
(6S)-6-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 97045976
(6R,9S)-6-(3-methoxy-4-propoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7084376
6-(3-methoxy-4-propoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2878690
2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110534841
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714
2-(3,4-diethoxy-5-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110535378
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 50888294

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one (CID 110538069) is 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one is CCCOc1cc(C2CC(=O)c3ccccc3N2)ccc1OC.
What is the InChIKey of 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is LCPBEGHOMPXWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-10-23-19-11-13(8-9-18(19)22-2)16-12-17(21)14-6-4-5-7-15(14)20-16/h4-9,11,16,20H,3,10,12H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 311.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 110538069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).