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

C15H13ClN4 — CID 2227970

IUPAC2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl
InChIInChI=1S/C15H13ClN4/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)
InChIKeyLFMFPKKYRXFHHZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.92
Rot. Bonds2

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

2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 2227970) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
PubChem CID2227970
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl
InChIInChI=1S/C15H13ClN4/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)
InChIKeyLFMFPKKYRXFHHZ-UHFFFAOYSA-N
XLogP3.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.92
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?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine (CID 2227970) is 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine is Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is LFMFPKKYRXFHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/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).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine?
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 284.75 g/mol, XLogP of 3.92, 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 is sourced from PubChem (CID 2227970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).