N-benzylquinazolin-4-amine;hydrochloride

C15H14ClN3 — CID 6603129

IUPACN-benzylquinazolin-4-amine;hydrochloride
SMILESCl.c1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H13N3.ClH/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15;/h1-9,11H,10H2,(H,16,17,18);1H
InChIKeyDIKWZEPKULLMFX-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.66
Rot. Bonds3

About N-benzylquinazolin-4-amine;hydrochloride

N-benzylquinazolin-4-amine;hydrochloride (PubChem CID 6603129) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-benzylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzylquinazolin-4-amine;hydrochloride
PubChem CID6603129
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-benzylquinazolin-4-amine;hydrochloride
SMILESCl.c1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H13N3.ClH/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15;/h1-9,11H,10H2,(H,16,17,18);1H
InChIKeyDIKWZEPKULLMFX-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-benzylquinazolin-4-amine;hydrochloride (CID 6603129) is N-benzylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-benzylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-benzylquinazolin-4-amine;hydrochloride is Cl.c1ccc(CNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-benzylquinazolin-4-amine;hydrochloride?
The InChIKey is DIKWZEPKULLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3.ClH/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15;/h1-9,11H,10H2,(H,16,17,18);1H.
What are the key properties of N-benzylquinazolin-4-amine;hydrochloride?
N-benzylquinazolin-4-amine;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 6603129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).