2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile

C17H14N2O2 — CID 81273879

IUPAC2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
SMILESCc1cc(Oc2ccc3c(c2)CCC(=O)N3)ccc1C#N
InChIInChI=1S/C17H14N2O2/c1-11-8-14(4-2-13(11)10-18)21-15-5-6-16-12(9-15)3-7-17(20)19-16/h2,4-6,8-9H,3,7H2,1H3,(H,19,20)
InChIKeyUEAJYROAQJNJHC-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.54
Rot. Bonds2

About 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile

2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile (PubChem CID 81273879) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
PubChem CID81273879
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
SMILESCc1cc(Oc2ccc3c(c2)CCC(=O)N3)ccc1C#N
InChIInChI=1S/C17H14N2O2/c1-11-8-14(4-2-13(11)10-18)21-15-5-6-16-12(9-15)3-7-17(20)19-16/h2,4-6,8-9H,3,7H2,1H3,(H,19,20)
InChIKeyUEAJYROAQJNJHC-UHFFFAOYSA-N
XLogP3.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 62492902
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridazine-4-carbonitrile
CID 80510072
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzenesulfonate
CID 24622330
6-(1-methylindazol-5-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 166453232
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 107275127
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
The IUPAC name of 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile (CID 81273879) is 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile.
What is the SMILES notation for 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
The canonical SMILES for 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile is Cc1cc(Oc2ccc3c(c2)CCC(=O)N3)ccc1C#N.
What is the InChIKey of 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
The InChIKey is UEAJYROAQJNJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-8-14(4-2-13(11)10-18)21-15-5-6-16-12(9-15)3-7-17(20)19-16/h2,4-6,8-9H,3,7H2,1H3,(H,19,20).
What are the key properties of 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile?
2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile has a molecular weight of 278.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile is sourced from PubChem (CID 81273879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).