3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline

C24H24ClN3 — CID 54757712

IUPAC3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1cccc(N(C)C)c1
InChIInChI=1S/C24H24ClN3/c1-17-26-23-13-12-20(25)15-22(23)24(19-9-5-4-6-10-19)28(17)16-18-8-7-11-21(14-18)27(2)3/h4-15,24H,16H2,1-3H3
InChIKeyZMICZHITXCGEPK-UHFFFAOYSA-N
MW389.93 g/mol
LogP6.06
Rot. Bonds4

About 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline

3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline (PubChem CID 54757712) has the molecular formula C24H24ClN3 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
PubChem CID54757712
Molecular FormulaC24H24ClN3
Molecular Weight389.93 g/mol
Exact Mass389.17
IUPAC Name3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1cccc(N(C)C)c1
InChIInChI=1S/C24H24ClN3/c1-17-26-23-13-12-20(25)15-22(23)24(19-9-5-4-6-10-19)28(17)16-18-8-7-11-21(14-18)27(2)3/h4-15,24H,16H2,1-3H3
InChIKeyZMICZHITXCGEPK-UHFFFAOYSA-N
XLogP6.06
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline (CID 54757712) is 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1cccc(N(C)C)c1.
What is the InChIKey of 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline?
The InChIKey is ZMICZHITXCGEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3/c1-17-26-23-13-12-20(25)15-22(23)24(19-9-5-4-6-10-19)28(17)16-18-8-7-11-21(14-18)27(2)3/h4-15,24H,16H2,1-3H3.
What are the key properties of 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline?
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline has a molecular weight of 389.93 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 54757712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).