2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine

C26H19Cl2N3 — CID 46084867

IUPAC2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1cccc2ccccc12)c1nc(-c2cccc(Cl)c2Cl)nc2ccccc12
InChIInChI=1S/C26H19Cl2N3/c1-31(16-18-10-6-9-17-8-2-3-11-19(17)18)26-20-12-4-5-15-23(20)29-25(30-26)21-13-7-14-22(27)24(21)28/h2-15H,16H2,1H3
InChIKeyDQORMDKRHUJICH-UHFFFAOYSA-N
MW444.37 g/mol
LogP7.39
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine

2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine (PubChem CID 46084867) has the molecular formula C26H19Cl2N3 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
PubChem CID46084867
Molecular FormulaC26H19Cl2N3
Molecular Weight444.37 g/mol
Exact Mass443.10
IUPAC Name2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1cccc2ccccc12)c1nc(-c2cccc(Cl)c2Cl)nc2ccccc12
InChIInChI=1S/C26H19Cl2N3/c1-31(16-18-10-6-9-17-8-2-3-11-19(17)18)26-20-12-4-5-15-23(20)29-25(30-26)21-13-7-14-22(27)24(21)28/h2-15H,16H2,1H3
InChIKeyDQORMDKRHUJICH-UHFFFAOYSA-N
XLogP7.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.37
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine (CID 46084867) is 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine is CN(Cc1cccc2ccccc12)c1nc(-c2cccc(Cl)c2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The InChIKey is DQORMDKRHUJICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3/c1-31(16-18-10-6-9-17-8-2-3-11-19(17)18)26-20-12-4-5-15-23(20)29-25(30-26)21-13-7-14-22(27)24(21)28/h2-15H,16H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine has a molecular weight of 444.37 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 46084867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).