4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride

C14H11Cl2FN4 — CID 21217673

IUPAC4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
SMILESCl.Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C14H10ClFN4.ClH/c15-11-6-9(2-3-12(11)16)20-14-10-5-8(17)1-4-13(10)18-7-19-14;/h1-7H,17H2,(H,18,19,20);1H
InChIKeyQZNPZROGUZBQTQ-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.17
Rot. Bonds2

About 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride

4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride (PubChem CID 21217673) has the molecular formula C14H11Cl2FN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
PubChem CID21217673
Molecular FormulaC14H11Cl2FN4
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
SMILESCl.Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C14H10ClFN4.ClH/c15-11-6-9(2-3-12(11)16)20-14-10-5-8(17)1-4-13(10)18-7-19-14;/h1-7H,17H2,(H,18,19,20);1H
InChIKeyQZNPZROGUZBQTQ-UHFFFAOYSA-N
XLogP4.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
CID 88532585
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
CID 156755708
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
4-N-(3-chloro-4-fluorophenyl)-7-(trifluoromethoxy)quinazoline-4,6-diamine
CID 66584139
4-N-(3-chloro-4-fluorophenyl)-7-(2-fluoroethoxy)quinazoline-4,6-diamine
CID 87059147
N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
CID 142344379
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride (CID 21217673) is 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride is Cl.Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride?
The InChIKey is QZNPZROGUZBQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4.ClH/c15-11-6-9(2-3-12(11)16)20-14-10-5-8(17)1-4-13(10)18-7-19-14;/h1-7H,17H2,(H,18,19,20);1H.
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride?
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride has a molecular weight of 325.17 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride is sourced from PubChem (CID 21217673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).