quinazoline-4-carbonitrile

C9H5N3 — CID 593211

IUPACquinazoline-4-carbonitrile
SMILESN#Cc1ncnc2ccccc12
InChIInChI=1S/C9H5N3/c10-5-9-7-3-1-2-4-8(7)11-6-12-9/h1-4,6H
InChIKeyVBCVBVXRDBPFIL-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.50
Rot. Bonds

About quinazoline-4-carbonitrile

quinazoline-4-carbonitrile (PubChem CID 593211) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is quinazoline-4-carbonitrile.

Molecular Properties

Compound Namequinazoline-4-carbonitrile
PubChem CID593211
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Namequinazoline-4-carbonitrile
SMILESN#Cc1ncnc2ccccc12
InChIInChI=1S/C9H5N3/c10-5-9-7-3-1-2-4-8(7)11-6-12-9/h1-4,6H
InChIKeyVBCVBVXRDBPFIL-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydron;quinazolin-4-amine
CID 174478214
azane;quinazolin-4-amine
CID 172800040
8-chloroquinazoline-4-carbonitrile
CID 119083825
6H-pyrrolo[3,4-d]pyrimidine-4-carbonitrile
CID 175804931
benzene;4-methylquinazoline
CID 174274782
fluoromethane;4-methylquinazoline
CID 91079443
4-(2-quinazolin-4-yloxyethyl)benzonitrile
CID 67619603
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile
CID 53498953
3-chloroquinoline-4-carbonitrile
CID 119084140
4-propan-2-ylisoquinoline-1-carbonitrile
CID 59856285
ethane;methanol;4-methylquinazoline
CID 91108480

Frequently Asked Questions

What is the IUPAC name of quinazoline-4-carbonitrile?
The IUPAC name of quinazoline-4-carbonitrile (CID 593211) is quinazoline-4-carbonitrile.
What is the SMILES notation for quinazoline-4-carbonitrile?
The canonical SMILES for quinazoline-4-carbonitrile is N#Cc1ncnc2ccccc12.
What is the InChIKey of quinazoline-4-carbonitrile?
The InChIKey is VBCVBVXRDBPFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c10-5-9-7-3-1-2-4-8(7)11-6-12-9/h1-4,6H.
What are the key properties of quinazoline-4-carbonitrile?
quinazoline-4-carbonitrile has a molecular weight of 155.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-4-carbonitrile is sourced from PubChem (CID 593211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).