N-(3-methylphenyl)quinazolin-4-amine

C15H13N3 — CID 659954

IUPACN-(3-methylphenyl)quinazolin-4-amine
SMILESCc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3/c1-11-5-4-6-12(9-11)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyAHFDWKXLJCGQHE-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.68
Rot. Bonds2

About N-(3-methylphenyl)quinazolin-4-amine

N-(3-methylphenyl)quinazolin-4-amine (PubChem CID 659954) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)quinazolin-4-amine
PubChem CID659954
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN-(3-methylphenyl)quinazolin-4-amine
SMILESCc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3/c1-11-5-4-6-12(9-11)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyAHFDWKXLJCGQHE-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-(3-methylphenyl)quinazolin-4-amine (CID 659954) is N-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-methylphenyl)quinazolin-4-amine is Cc1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is AHFDWKXLJCGQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-5-4-6-12(9-11)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(3-methylphenyl)quinazolin-4-amine?
N-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 659954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).