2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile

C16H10BrN3O — CID 112783896

IUPAC2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccccc1COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H10BrN3O/c17-13-5-6-15-14(7-13)16(20-10-19-15)21-9-12-4-2-1-3-11(12)8-18/h1-7,10H,9H2
InChIKeyBBSSMVNVPWZLHN-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.84
Rot. Bonds3

About 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile

2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile (PubChem CID 112783896) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile
PubChem CID112783896
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC Name2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccccc1COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H10BrN3O/c17-13-5-6-15-14(7-13)16(20-10-19-15)21-9-12-4-2-1-3-11(12)8-18/h1-7,10H,9H2
InChIKeyBBSSMVNVPWZLHN-UHFFFAOYSA-N
XLogP3.84
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenazaquin
CID 86356
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
Quinazoline, 4-(3-bromophenoxy)-
CID 5328018
4-(Cyclohexyloxy)quinazoline
CID 44591868
4-Ethoxyquinazoline
CID 589708
Allyl-[6-[4-(4-bromo-phenyl)-quinazolin-7-yloxy]-hexyl]-methyl-amine
CID 10994090
4-(4-(4-Bromophenoxy)quinazolin-2-ylamino)benzonitrile
CID 44136519
4-[2-(4-Butylphenyl)ethoxy]quinazoline
CID 44441988
4-[(4-Bromophenyl)methoxy]quinazoline
CID 2368291
4-[2-[4-(5-Fluoropentyl)phenyl]ethoxy]quinazoline
CID 44441990
4-[2-[4-(1-Fluorobutyl)phenyl]ethoxy]quinazoline
CID 44441992
4-[(4-Butylphenyl)methoxy]quinazoline
CID 44441993

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile?
The IUPAC name of 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile (CID 112783896) is 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile?
The canonical SMILES for 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile is N#Cc1ccccc1COc1ncnc2ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile?
The InChIKey is BBSSMVNVPWZLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-13-5-6-15-14(7-13)16(20-10-19-15)21-9-12-4-2-1-3-11(12)8-18/h1-7,10H,9H2.
What are the key properties of 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile?
2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile has a molecular weight of 340.18 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 112783896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).