4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile

C18H12F2N2O — CID 10913914

IUPAC4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile
SMILESCCOc1c(C#N)c(-c2ccccc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C18H12F2N2O/c1-2-23-18-12-8-14(19)15(20)9-16(12)22-17(13(18)10-21)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyKBBIABGBQWEAES-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.45
Rot. Bonds3

About 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile

4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile (PubChem CID 10913914) has the molecular formula C18H12F2N2O and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile
PubChem CID10913914
Molecular FormulaC18H12F2N2O
Molecular Weight310.30 g/mol
Exact Mass310.09
IUPAC Name4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile
SMILESCCOc1c(C#N)c(-c2ccccc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C18H12F2N2O/c1-2-23-18-12-8-14(19)15(20)9-16(12)22-17(13(18)10-21)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyKBBIABGBQWEAES-UHFFFAOYSA-N
XLogP4.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-ethoxy-2,4-difluorophenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571506
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6,7-dimethoxyquinoline-4-carboxylic acid
CID 143206559
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 70327608
2-[2-[(4-ethoxy-2,6-difluorophenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571743
6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
CID 154635041
2-[2-[(4-ethoxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571418
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
2-ethoxy-4-phenylquinazoline
CID 134912772
5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
CID 76847130
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
4-[4-(4-cyano-3,5-difluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorobenzonitrile
CID 163289957
2-ethoxy-3-fluorobenzonitrile
CID 90422615

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile?
The IUPAC name of 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile (CID 10913914) is 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile?
The canonical SMILES for 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile is CCOc1c(C#N)c(-c2ccccc2)nc2cc(F)c(F)cc12.
What is the InChIKey of 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile?
The InChIKey is KBBIABGBQWEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O/c1-2-23-18-12-8-14(19)15(20)9-16(12)22-17(13(18)10-21)11-6-4-3-5-7-11/h3-9H,2H2,1H3.
What are the key properties of 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile?
4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile has a molecular weight of 310.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6,7-difluoro-2-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 10913914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).