4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile

C17H14N2O2 — CID 114940048

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc3c(c2)NC(=O)CC3)cc1
InChIInChI=1S/C17H14N2O2/c18-10-12-1-3-13(4-2-12)11-21-15-7-5-14-6-8-17(20)19-16(14)9-15/h1-5,7,9H,6,8,11H2,(H,19,20)
InChIKeySSHVBRZOLBMZHN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.02
Rot. Bonds3

About 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile

4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile (PubChem CID 114940048) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
PubChem CID114940048
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc3c(c2)NC(=O)CC3)cc1
InChIInChI=1S/C17H14N2O2/c18-10-12-1-3-13(4-2-12)11-21-15-7-5-14-6-8-17(20)19-16(14)9-15/h1-5,7,9H,6,8,11H2,(H,19,20)
InChIKeySSHVBRZOLBMZHN-UHFFFAOYSA-N
XLogP3.02
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
tert-butyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoate
CID 68588682
7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54296306
7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940207
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
CID 47044616
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939999
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile (CID 114940048) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile is N#Cc1ccc(COc2ccc3c(c2)NC(=O)CC3)cc1.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile?
The InChIKey is SSHVBRZOLBMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-10-12-1-3-13(4-2-12)11-21-15-7-5-14-6-8-17(20)19-16(14)9-15/h1-5,7,9H,6,8,11H2,(H,19,20).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile?
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile has a molecular weight of 278.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 114940048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).