2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine

C23H20ClN3 — CID 88886946

IUPAC2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
SMILESCCc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H20ClN3/c1-2-16-11-13-17(14-12-16)15-25-22-21-19(18-7-4-3-5-8-18)9-6-10-20(21)26-23(24)27-22/h3-14H,2,15H2,1H3,(H,25,26,27)
InChIKeyXHJRIARCQCTANU-UHFFFAOYSA-N
MW373.89 g/mol
LogP6.12
Rot. Bonds5

About 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine

2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine (PubChem CID 88886946) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
PubChem CID88886946
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
SMILESCCc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H20ClN3/c1-2-16-11-13-17(14-12-16)15-25-22-21-19(18-7-4-3-5-8-18)9-6-10-20(21)26-23(24)27-22/h3-14H,2,15H2,1H3,(H,25,26,27)
InChIKeyXHJRIARCQCTANU-UHFFFAOYSA-N
XLogP6.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine (CID 88886946) is 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine is CCc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine?
The InChIKey is XHJRIARCQCTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-2-16-11-13-17(14-12-16)15-25-22-21-19(18-7-4-3-5-8-18)9-6-10-20(21)26-23(24)27-22/h3-14H,2,15H2,1H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine?
2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine has a molecular weight of 373.89 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine is sourced from PubChem (CID 88886946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).