2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine

C14H12ClN3S — CID 103406366

IUPAC2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
SMILESCc1csc(-c2nc(N)c3cccc(C)c3n2)c1Cl
InChIInChI=1S/C14H12ClN3S/c1-7-4-3-5-9-11(7)17-14(18-13(9)16)12-10(15)8(2)6-19-12/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyGDYSWJQPIBWHLQ-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.21
Rot. Bonds1

About 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine

2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine (PubChem CID 103406366) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
PubChem CID103406366
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
SMILESCc1csc(-c2nc(N)c3cccc(C)c3n2)c1Cl
InChIInChI=1S/C14H12ClN3S/c1-7-4-3-5-9-11(7)17-14(18-13(9)16)12-10(15)8(2)6-19-12/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyGDYSWJQPIBWHLQ-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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Related Compounds

2-(4-chlorophenyl)-8-methylquinazolin-4-amine
CID 64983313
2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
CID 107100374
8-methyl-2-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 64983358
4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 103400530
4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 107050195
2-(2-methoxyphenyl)-8-methylquinazolin-4-amine
CID 64983688
4-chloro-8-methylquinazolin-2-amine
CID 10035504
5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole
CID 114034043
2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
CID 80641425
8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64983638
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine?
The IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine (CID 103406366) is 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine is Cc1csc(-c2nc(N)c3cccc(C)c3n2)c1Cl.
What is the InChIKey of 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine?
The InChIKey is GDYSWJQPIBWHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-7-4-3-5-9-11(7)17-14(18-13(9)16)12-10(15)8(2)6-19-12/h3-6H,1-2H3,(H2,16,17,18).
What are the key properties of 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine?
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-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 2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine is sourced from PubChem (CID 103406366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).