N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine

C21H16ClN3 — CID 2452792

IUPACN-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine
SMILESClc1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H16ClN3/c22-17-10-6-7-15(13-17)14-23-21-18-11-4-5-12-19(18)24-20(25-21)16-8-2-1-3-9-16/h1-13H,14H2,(H,23,24,25)
InChIKeyDEZCBHJPOYCVKB-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.56
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine

N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine (PubChem CID 2452792) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine
PubChem CID2452792
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine
SMILESClc1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H16ClN3/c22-17-10-6-7-15(13-17)14-23-21-18-11-4-5-12-19(18)24-20(25-21)16-8-2-1-3-9-16/h1-13H,14H2,(H,23,24,25)
InChIKeyDEZCBHJPOYCVKB-UHFFFAOYSA-N
XLogP5.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine (CID 2452792) is N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine is Clc1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine?
The InChIKey is DEZCBHJPOYCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c22-17-10-6-7-15(13-17)14-23-21-18-11-4-5-12-19(18)24-20(25-21)16-8-2-1-3-9-16/h1-13H,14H2,(H,23,24,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine?
N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine has a molecular weight of 345.83 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 2452792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).