6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine

C16H14ClN3 — CID 873721

IUPAC6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine
SMILESCN(C)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H14ClN3/c1-20(2)16-18-14-9-8-12(17)10-13(14)15(19-16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyZCFBUSHGSIQTTH-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.02
Rot. Bonds2

About 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine

6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine (PubChem CID 873721) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine
PubChem CID873721
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine
SMILESCN(C)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H14ClN3/c1-20(2)16-18-14-9-8-12(17)10-13(14)15(19-16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyZCFBUSHGSIQTTH-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine (CID 873721) is 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine is CN(C)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine?
The InChIKey is ZCFBUSHGSIQTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-20(2)16-18-14-9-8-12(17)10-13(14)15(19-16)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine?
6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 873721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).