2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride

C15H14Cl2N4 — CID 2972826

IUPAC2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl.Cl
InChIInChI=1S/C15H13ClN4.ClH/c1-9-6-7-10(8-12(9)16)18-15-19-13-5-3-2-4-11(13)14(17)20-15;/h2-8H,1H3,(H3,17,18,19,20);1H
InChIKeyDQTCNBJBQHKLIP-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.34
Rot. Bonds2

About 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride

2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2972826) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2972826
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl.Cl
InChIInChI=1S/C15H13ClN4.ClH/c1-9-6-7-10(8-12(9)16)18-15-19-13-5-3-2-4-11(13)14(17)20-15;/h2-8H,1H3,(H3,17,18,19,20);1H
InChIKeyDQTCNBJBQHKLIP-UHFFFAOYSA-N
XLogP4.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride (CID 2972826) is 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride is Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl.Cl.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is DQTCNBJBQHKLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4.ClH/c1-9-6-7-10(8-12(9)16)18-15-19-13-5-3-2-4-11(13)14(17)20-15;/h2-8H,1H3,(H3,17,18,19,20);1H.
What are the key properties of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 321.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2972826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).