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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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).