2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine

C22H18BrN3 — CID 24718762

IUPAC2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1nc(-c2cccc(Br)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18BrN3/c1-15(16-8-3-2-4-9-16)24-22-19-12-5-6-13-20(19)25-21(26-22)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,25,26)
InChIKeyWNSVUGUPEJWZNU-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.23
Rot. Bonds4

About 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine

2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 24718762) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine
PubChem CID24718762
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC Name2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1nc(-c2cccc(Br)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18BrN3/c1-15(16-8-3-2-4-9-16)24-22-19-12-5-6-13-20(19)25-21(26-22)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,25,26)
InChIKeyWNSVUGUPEJWZNU-UHFFFAOYSA-N
XLogP6.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine (CID 24718762) is 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine is CC(Nc1nc(-c2cccc(Br)c2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is WNSVUGUPEJWZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c1-15(16-8-3-2-4-9-16)24-22-19-12-5-6-13-20(19)25-21(26-22)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,25,26).
What are the key properties of 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine?
2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 404.31 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 24718762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).