2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride

C15H14ClFN4 — CID 146065336

IUPAC2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
SMILESCNc1nc(Nc2ccc(F)cc2)nc2ccccc12.Cl
InChIInChI=1S/C15H13FN4.ClH/c1-17-14-12-4-2-3-5-13(12)19-15(20-14)18-11-8-6-10(16)7-9-11;/h2-9H,1H3,(H2,17,18,19,20);1H
InChIKeyMQUFIUNPXNYDQS-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.98
Rot. Bonds3

About 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride

2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride (PubChem CID 146065336) has the molecular formula C15H14ClFN4 and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
PubChem CID146065336
Molecular FormulaC15H14ClFN4
Molecular Weight304.76 g/mol
Exact Mass304.09
IUPAC Name2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
SMILESCNc1nc(Nc2ccc(F)cc2)nc2ccccc12.Cl
InChIInChI=1S/C15H13FN4.ClH/c1-17-14-12-4-2-3-5-13(12)19-15(20-14)18-11-8-6-10(16)7-9-11;/h2-9H,1H3,(H2,17,18,19,20);1H
InChIKeyMQUFIUNPXNYDQS-UHFFFAOYSA-N
XLogP3.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride (CID 146065336) is 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride is CNc1nc(Nc2ccc(F)cc2)nc2ccccc12.Cl.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is MQUFIUNPXNYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4.ClH/c1-17-14-12-4-2-3-5-13(12)19-15(20-14)18-11-8-6-10(16)7-9-11;/h2-9H,1H3,(H2,17,18,19,20);1H.
What are the key properties of 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride?
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 304.76 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 146065336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).