4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine

C15H14ClN3S — CID 114591367

IUPAC4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine
SMILESCc1ccc(-c2nc(Cl)c3cc(N(C)C)ccc3n2)s1
InChIInChI=1S/C15H14ClN3S/c1-9-4-7-13(20-9)15-17-12-6-5-10(19(2)3)8-11(12)14(16)18-15/h4-8H,1-3H3
InChIKeyKXSNVPCZCIMRAC-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.39
Rot. Bonds2

About 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine

4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine (PubChem CID 114591367) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine
PubChem CID114591367
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine
SMILESCc1ccc(-c2nc(Cl)c3cc(N(C)C)ccc3n2)s1
InChIInChI=1S/C15H14ClN3S/c1-9-4-7-13(20-9)15-17-12-6-5-10(19(2)3)8-11(12)14(16)18-15/h4-8H,1-3H3
InChIKeyKXSNVPCZCIMRAC-UHFFFAOYSA-N
XLogP4.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
CID 63086379
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
CID 114591378
4-chloro-2-(5-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591312
5-bromo-4-chloro-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 66312422
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 60999742
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
2-chloro-N,N,4-trimethylquinolin-7-amine
CID 14579996
5-bromo-4-chloro-2-(5-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 66312071
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
4,6-dichloro-5-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)pyrimidine
CID 79435355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine (CID 114591367) is 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine is Cc1ccc(-c2nc(Cl)c3cc(N(C)C)ccc3n2)s1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine?
The InChIKey is KXSNVPCZCIMRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-9-4-7-13(20-9)15-17-12-6-5-10(19(2)3)8-11(12)14(16)18-15/h4-8H,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine?
4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine has a molecular weight of 303.82 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine is sourced from PubChem (CID 114591367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).