N-[(4-chlorophenyl)methyl]quinazolin-4-amine

C15H12ClN3 — CID 5328014

IUPACN-[(4-chlorophenyl)methyl]quinazolin-4-amine
SMILESClc1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19)
InChIKeyBTRLSAYDVSPYCS-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]quinazolin-4-amine

N-[(4-chlorophenyl)methyl]quinazolin-4-amine (PubChem CID 5328014) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]quinazolin-4-amine
PubChem CID5328014
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-[(4-chlorophenyl)methyl]quinazolin-4-amine
SMILESClc1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19)
InChIKeyBTRLSAYDVSPYCS-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]quinazolin-4-amine (CID 5328014) is N-[(4-chlorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]quinazolin-4-amine is Clc1ccc(CNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]quinazolin-4-amine?
The InChIKey is BTRLSAYDVSPYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]quinazolin-4-amine?
N-[(4-chlorophenyl)methyl]quinazolin-4-amine has a molecular weight of 269.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 5328014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).