N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride

C15H13Cl2N3 — CID 70292326

IUPACN-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride
SMILESCl.Clc1ccc2ncnc(CNc3ccccc3)c2c1
InChIInChI=1S/C15H12ClN3.ClH/c16-11-6-7-14-13(8-11)15(19-10-18-14)9-17-12-4-2-1-3-5-12;/h1-8,10,17H,9H2;1H
InChIKeyBENNZAJOQZJVJB-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.32
Rot. Bonds3

About N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride

N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride (PubChem CID 70292326) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride
PubChem CID70292326
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC NameN-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride
SMILESCl.Clc1ccc2ncnc(CNc3ccccc3)c2c1
InChIInChI=1S/C15H12ClN3.ClH/c16-11-6-7-14-13(8-11)15(19-10-18-14)9-17-12-4-2-1-3-5-12;/h1-8,10,17H,9H2;1H
InChIKeyBENNZAJOQZJVJB-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride?
The IUPAC name of N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride (CID 70292326) is N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride.
What is the SMILES notation for N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride?
The canonical SMILES for N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride is Cl.Clc1ccc2ncnc(CNc3ccccc3)c2c1.
What is the InChIKey of N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride?
The InChIKey is BENNZAJOQZJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3.ClH/c16-11-6-7-14-13(8-11)15(19-10-18-14)9-17-12-4-2-1-3-5-12;/h1-8,10,17H,9H2;1H.
What are the key properties of N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride?
N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride has a molecular weight of 306.20 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinazolin-4-yl)methyl]aniline;hydrochloride is sourced from PubChem (CID 70292326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).