N-(quinazolin-4-ylmethyl)aniline

C15H13N3 — CID 70295274

IUPACN-(quinazolin-4-ylmethyl)aniline
SMILESc1ccc(NCc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H13N3/c1-2-6-12(7-3-1)16-10-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11,16H,10H2
InChIKeyNJLWPMJDYPLPTC-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.24
Rot. Bonds3

About N-(quinazolin-4-ylmethyl)aniline

N-(quinazolin-4-ylmethyl)aniline (PubChem CID 70295274) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(quinazolin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(quinazolin-4-ylmethyl)aniline
PubChem CID70295274
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN-(quinazolin-4-ylmethyl)aniline
SMILESc1ccc(NCc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H13N3/c1-2-6-12(7-3-1)16-10-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11,16H,10H2
InChIKeyNJLWPMJDYPLPTC-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(quinazolin-4-ylmethyl)aniline?
The IUPAC name of N-(quinazolin-4-ylmethyl)aniline (CID 70295274) is N-(quinazolin-4-ylmethyl)aniline.
What is the SMILES notation for N-(quinazolin-4-ylmethyl)aniline?
The canonical SMILES for N-(quinazolin-4-ylmethyl)aniline is c1ccc(NCc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(quinazolin-4-ylmethyl)aniline?
The InChIKey is NJLWPMJDYPLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-6-12(7-3-1)16-10-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11,16H,10H2.
What are the key properties of N-(quinazolin-4-ylmethyl)aniline?
N-(quinazolin-4-ylmethyl)aniline has a molecular weight of 235.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinazolin-4-ylmethyl)aniline is sourced from PubChem (CID 70295274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).