N-methyl-N-phenylquinazolin-4-amine

C15H13N3 — CID 5328016

IUPACN-methyl-N-phenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1ncnc2ccccc12
InChIInChI=1S/C15H13N3/c1-18(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16-11-17-15/h2-11H,1H3
InChIKeyVCLXUEIYTZFLMO-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.40
Rot. Bonds2

About N-methyl-N-phenylquinazolin-4-amine

N-methyl-N-phenylquinazolin-4-amine (PubChem CID 5328016) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-phenylquinazolin-4-amine
PubChem CID5328016
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN-methyl-N-phenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1ncnc2ccccc12
InChIInChI=1S/C15H13N3/c1-18(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16-11-17-15/h2-11H,1H3
InChIKeyVCLXUEIYTZFLMO-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of N-methyl-N-phenylquinazolin-4-amine (CID 5328016) is N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for N-methyl-N-phenylquinazolin-4-amine is CN(c1ccccc1)c1ncnc2ccccc12.
What is the InChIKey of N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is VCLXUEIYTZFLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-18(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16-11-17-15/h2-11H,1H3.
What are the key properties of N-methyl-N-phenylquinazolin-4-amine?
N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 5328016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).