2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

C21H17ClN4 — CID 71690554

IUPAC2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCc1ccc(Cl)cc1Nc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H17ClN4/c1-14-11-12-15(22)13-19(14)25-21-24-18-10-6-5-9-17(18)20(26-21)23-16-7-3-2-4-8-16/h2-13H,1H3,(H2,23,24,25,26)
InChIKeySMPXUISYBDVCNF-UHFFFAOYSA-N
MW360.85 g/mol
LogP6.08
Rot. Bonds4

About 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 71690554) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID71690554
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCc1ccc(Cl)cc1Nc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H17ClN4/c1-14-11-12-15(22)13-19(14)25-21-24-18-10-6-5-9-17(18)20(26-21)23-16-7-3-2-4-8-16/h2-13H,1H3,(H2,23,24,25,26)
InChIKeySMPXUISYBDVCNF-UHFFFAOYSA-N
XLogP6.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (CID 71690554) is 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is Cc1ccc(Cl)cc1Nc1nc(Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is SMPXUISYBDVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-14-11-12-15(22)13-19(14)25-21-24-18-10-6-5-9-17(18)20(26-21)23-16-7-3-2-4-8-16/h2-13H,1H3,(H2,23,24,25,26).
What are the key properties of 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 360.85 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 71690554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).