7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine

C21H16ClN3 — CID 118477734

IUPAC7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)ccc12
InChIInChI=1S/C21H16ClN3/c1-23-21-18-11-10-16(15-8-5-9-17(22)12-15)13-19(18)24-20(25-21)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25)
InChIKeyONPZBHYPVMFUBN-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.66
Rot. Bonds3

About 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine

7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine (PubChem CID 118477734) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
PubChem CID118477734
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)ccc12
InChIInChI=1S/C21H16ClN3/c1-23-21-18-11-10-16(15-8-5-9-17(22)12-15)13-19(18)24-20(25-21)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25)
InChIKeyONPZBHYPVMFUBN-UHFFFAOYSA-N
XLogP5.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
CID 64983885
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 81315844
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
3-[4-(methylamino)quinazolin-2-yl]benzonitrile
CID 3233618
7-(4-isocyanophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 123812922
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66302245

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
The IUPAC name of 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine (CID 118477734) is 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine.
What is the SMILES notation for 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
The canonical SMILES for 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine is CNc1nc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)ccc12.
What is the InChIKey of 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
The InChIKey is ONPZBHYPVMFUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-23-21-18-11-10-16(15-8-5-9-17(22)12-15)13-19(18)24-20(25-21)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25).
What are the key properties of 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine has a molecular weight of 345.83 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine is sourced from PubChem (CID 118477734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).