4-(2-quinazolin-4-yloxyethyl)benzonitrile

C17H13N3O — CID 67619603

IUPAC4-(2-quinazolin-4-yloxyethyl)benzonitrile
SMILESN#Cc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H13N3O/c18-11-14-7-5-13(6-8-14)9-10-21-17-15-3-1-2-4-16(15)19-12-20-17/h1-8,12H,9-10H2
InChIKeyNKOMTSBQXGXLOH-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.12
Rot. Bonds4

About 4-(2-quinazolin-4-yloxyethyl)benzonitrile

4-(2-quinazolin-4-yloxyethyl)benzonitrile (PubChem CID 67619603) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(2-quinazolin-4-yloxyethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-quinazolin-4-yloxyethyl)benzonitrile
PubChem CID67619603
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-(2-quinazolin-4-yloxyethyl)benzonitrile
SMILESN#Cc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H13N3O/c18-11-14-7-5-13(6-8-14)9-10-21-17-15-3-1-2-4-16(15)19-12-20-17/h1-8,12H,9-10H2
InChIKeyNKOMTSBQXGXLOH-UHFFFAOYSA-N
XLogP3.12
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
CID 54258705
butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
CID 143095074
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
CID 59678692
4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
CID 67620011
methyl 4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butanoate;4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butan-1-ol
CID 162099708
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
CID 55321352
4-(5-bromopentoxy)quinazoline
CID 163216994
4-ethoxyquinazoline
CID 589708
4-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
CID 3820862
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline
CID 159619273

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinazolin-4-yloxyethyl)benzonitrile?
The IUPAC name of 4-(2-quinazolin-4-yloxyethyl)benzonitrile (CID 67619603) is 4-(2-quinazolin-4-yloxyethyl)benzonitrile.
What is the SMILES notation for 4-(2-quinazolin-4-yloxyethyl)benzonitrile?
The canonical SMILES for 4-(2-quinazolin-4-yloxyethyl)benzonitrile is N#Cc1ccc(CCOc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-(2-quinazolin-4-yloxyethyl)benzonitrile?
The InChIKey is NKOMTSBQXGXLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-11-14-7-5-13(6-8-14)9-10-21-17-15-3-1-2-4-16(15)19-12-20-17/h1-8,12H,9-10H2.
What are the key properties of 4-(2-quinazolin-4-yloxyethyl)benzonitrile?
4-(2-quinazolin-4-yloxyethyl)benzonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinazolin-4-yloxyethyl)benzonitrile is sourced from PubChem (CID 67619603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).