2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile

C19H16N2O2 — CID 57153655

IUPAC2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile
SMILESCn1c(=O)ccc2cc(COc3cccc(CC#N)c3)ccc21
InChIInChI=1S/C19H16N2O2/c1-21-18-7-5-15(11-16(18)6-8-19(21)22)13-23-17-4-2-3-14(12-17)9-10-20/h2-8,11-12H,9,13H2,1H3
InChIKeyLUQAQUVIPIJJFU-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile

2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile (PubChem CID 57153655) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile
PubChem CID57153655
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile
SMILESCn1c(=O)ccc2cc(COc3cccc(CC#N)c3)ccc21
InChIInChI=1S/C19H16N2O2/c1-21-18-7-5-15(11-16(18)6-8-19(21)22)13-23-17-4-2-3-14(12-17)9-10-20/h2-8,11-12H,9,13H2,1H3
InChIKeyLUQAQUVIPIJJFU-UHFFFAOYSA-N
XLogP3.18
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
CID 67826098
6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
CID 10022483
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 19050147
2-[3-(2-chloroethoxy)phenyl]acetonitrile
CID 171785763
2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
CID 142620478
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
2-[3-[2-(3-propoxyphenyl)ethyl]phenyl]acetonitrile
CID 141318106
3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]butanenitrile
CID 19761557
2-(3-but-3-enoxyphenyl)acetonitrile
CID 70597705
1-methyl-6-[5-[naphthalen-2-ylmethyl(2-pyridin-3-ylethyl)amino]pentoxy]quinolin-2-one
CID 90229730

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile (CID 57153655) is 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile is Cn1c(=O)ccc2cc(COc3cccc(CC#N)c3)ccc21.
What is the InChIKey of 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile?
The InChIKey is LUQAQUVIPIJJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-21-18-7-5-15(11-16(18)6-8-19(21)22)13-23-17-4-2-3-14(12-17)9-10-20/h2-8,11-12H,9,13H2,1H3.
What are the key properties of 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile?
2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 57153655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).