6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine

C16H15ClN4 — CID 64983672

IUPAC6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(N)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H15ClN4/c1-21(2)12-6-3-10(4-7-12)16-19-14-8-5-11(17)9-13(14)15(18)20-16/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyOMPQYBQAWKQANT-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.60
Rot. Bonds2

About 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine

6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine (PubChem CID 64983672) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
PubChem CID64983672
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(N)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H15ClN4/c1-21(2)12-6-3-10(4-7-12)16-19-14-8-5-11(17)9-13(14)15(18)20-16/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyOMPQYBQAWKQANT-UHFFFAOYSA-N
XLogP3.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine (CID 64983672) is 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine is CN(C)c1ccc(-c2nc(N)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine?
The InChIKey is OMPQYBQAWKQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-21(2)12-6-3-10(4-7-12)16-19-14-8-5-11(17)9-13(14)15(18)20-16/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine?
6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine has a molecular weight of 298.78 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine is sourced from PubChem (CID 64983672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).