quinazoline

C8H6N2 — CID 9210

IUPACquinazoline
SMILESc1ccc2ncncc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
InChIKeyJWVCLYRUEFBMGU-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.63
Rot. Bonds

About quinazoline

quinazoline (PubChem CID 9210) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is quinazoline.

Molecular Properties

Compound Namequinazoline
PubChem CID9210
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namequinazoline
SMILESc1ccc2ncncc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
InChIKeyJWVCLYRUEFBMGU-UHFFFAOYSA-N
XLogP1.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminoquinazoline
CID 84759
6-Aminoquinazoline
CID 589288
Spautin-1
CID 51037431
4-Phenylpyrimidine
CID 18923
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Aminoquinoline
CID 68476
2-Amino-4-phenylpyrimidine
CID 598777
2,4,6-Triaminoquinazoline
CID 292661
Quinazolin-7-amine
CID 16663769
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555

Frequently Asked Questions

What is the IUPAC name of quinazoline?
The IUPAC name of quinazoline (CID 9210) is quinazoline.
What is the SMILES notation for quinazoline?
The canonical SMILES for quinazoline is c1ccc2ncncc2c1.
What is the InChIKey of quinazoline?
The InChIKey is JWVCLYRUEFBMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H.
What are the key properties of quinazoline?
quinazoline has a molecular weight of 130.15 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline is sourced from PubChem (CID 9210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).