7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine

C14H12ClN3S — CID 65238529

IUPAC7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine
SMILESCc1cc(-c2nc(N)c3ccc(Cl)cc3n2)sc1C
InChIInChI=1S/C14H12ClN3S/c1-7-5-12(19-8(7)2)14-17-11-6-9(15)3-4-10(11)13(16)18-14/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyCLUPARMZEUQCPN-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.21
Rot. Bonds1

About 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine

7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine (PubChem CID 65238529) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine
PubChem CID65238529
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine
SMILESCc1cc(-c2nc(N)c3ccc(Cl)cc3n2)sc1C
InChIInChI=1S/C14H12ClN3S/c1-7-5-12(19-8(7)2)14-17-11-6-9(15)3-4-10(11)13(16)18-14/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyCLUPARMZEUQCPN-UHFFFAOYSA-N
XLogP4.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine (CID 65238529) is 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine is Cc1cc(-c2nc(N)c3ccc(Cl)cc3n2)sc1C.
What is the InChIKey of 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine?
The InChIKey is CLUPARMZEUQCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-7-5-12(19-8(7)2)14-17-11-6-9(15)3-4-10(11)13(16)18-14/h3-6H,1-2H3,(H2,16,17,18).
What are the key properties of 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine?
7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 65238529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).