5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one

C22H20ClNO3 — CID 7541832

IUPAC5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCCc3ccccc32)occ1OCc1ccccc1Cl
InChIInChI=1S/C22H20ClNO3/c23-19-9-3-1-7-17(19)14-27-22-15-26-18(12-21(22)25)13-24-11-5-8-16-6-2-4-10-20(16)24/h1-4,6-7,9-10,12,15H,5,8,11,13-14H2
InChIKeyVQXNIXIKNSBSPR-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.82
Rot. Bonds5

About 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one

5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one (PubChem CID 7541832) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
PubChem CID7541832
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCCc3ccccc32)occ1OCc1ccccc1Cl
InChIInChI=1S/C22H20ClNO3/c23-19-9-3-1-7-17(19)14-27-22-15-26-18(12-21(22)25)13-24-11-5-8-16-6-2-4-10-20(16)24/h1-4,6-7,9-10,12,15H,5,8,11,13-14H2
InChIKeyVQXNIXIKNSBSPR-UHFFFAOYSA-N
XLogP4.82
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-ylmethyl)-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one
CID 7541840
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
CID 7178285
5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one
CID 7541857
N-(3-chlorophenyl)-2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7178595
5-[(2-chlorophenyl)methoxy]-2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]pyran-4-one
CID 92761669
5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one
CID 46084044
5-[(2-fluorophenyl)methoxy]-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 7178644
2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7541783
2-[[4-(5-chloro-1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one
CID 92760992
2-[[4-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one
CID 46084049
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 16812837

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one (CID 7541832) is 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one is O=c1cc(CN2CCCc3ccccc32)occ1OCc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one?
The InChIKey is VQXNIXIKNSBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c23-19-9-3-1-7-17(19)14-27-22-15-26-18(12-21(22)25)13-24-11-5-8-16-6-2-4-10-20(16)24/h1-4,6-7,9-10,12,15H,5,8,11,13-14H2.
What are the key properties of 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one?
5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one has a molecular weight of 381.86 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 7541832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).