7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C21H18N2O2 — CID 71456934

IUPAC7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc2N1
InChIInChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
InChIKeyVGFAZLJERHRJJT-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.21
Rot. Bonds4

About 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71456934) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID71456934
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc2N1
InChIInChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
InChIKeyVGFAZLJERHRJJT-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-yl)-9H-xanthene-9-carboxamide
CID 659939
(S)-8-((2-amino-4-methylpentyl)oxy)-4,6-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-9-carbonitrile
CID 73214233
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
5,11-Dihydro-10-oxa-1-aza-dibenzo[a,d]cycloheptene-5-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10363625
7-Ethoxy-4-(3-pyridin-4-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 11235624
7-ethoxy-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 11442010
4-(2,4-Difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24795066
6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H)-one
CID 25180298
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methylpyridin-4-yl)phenyl]propanamide
CID 42638432
(1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydroxyamide 2-{[4-(quinolin-4-yloxymethyl)-phenyl]-amide}
CID 44356689
(1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydroxyamide 2-{[4-(quinolin-5-yloxymethyl)-phenyl]-amide}
CID 44357024
6-[5-(2-Methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44480134

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 71456934) is 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc2N1.
What is the InChIKey of 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VGFAZLJERHRJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24).
What are the key properties of 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 330.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71456934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).