6-chloro-N-methyl-N-phenylquinazolin-4-amine

C15H12ClN3 — CID 18770822

IUPAC6-chloro-N-methyl-N-phenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1ncnc2ccc(Cl)cc12
InChIInChI=1S/C15H12ClN3/c1-19(12-5-3-2-4-6-12)15-13-9-11(16)7-8-14(13)17-10-18-15/h2-10H,1H3
InChIKeyZZYIWOPJNXSJRG-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.05
Rot. Bonds2

About 6-chloro-N-methyl-N-phenylquinazolin-4-amine

6-chloro-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 18770822) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-phenylquinazolin-4-amine
PubChem CID18770822
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name6-chloro-N-methyl-N-phenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1ncnc2ccc(Cl)cc12
InChIInChI=1S/C15H12ClN3/c1-19(12-5-3-2-4-6-12)15-13-9-11(16)7-8-14(13)17-10-18-15/h2-10H,1H3
InChIKeyZZYIWOPJNXSJRG-UHFFFAOYSA-N
XLogP4.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-phenylquinazolin-4-amine (CID 18770822) is 6-chloro-N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-phenylquinazolin-4-amine is CN(c1ccccc1)c1ncnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is ZZYIWOPJNXSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-19(12-5-3-2-4-6-12)15-13-9-11(16)7-8-14(13)17-10-18-15/h2-10H,1H3.
What are the key properties of 6-chloro-N-methyl-N-phenylquinazolin-4-amine?
6-chloro-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 269.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 18770822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).