4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine

C16H16ClN3S — CID 114591378

IUPAC4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
SMILESCCc1ccsc1-c1nc(Cl)c2cc(N(C)C)ccc2n1
InChIInChI=1S/C16H16ClN3S/c1-4-10-7-8-21-14(10)16-18-13-6-5-11(20(2)3)9-12(13)15(17)19-16/h5-9H,4H2,1-3H3
InChIKeyQYJMQUXGWZVPFA-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine

4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine (PubChem CID 114591378) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine.

Molecular Properties

Compound Name4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
PubChem CID114591378
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
SMILESCCc1ccsc1-c1nc(Cl)c2cc(N(C)C)ccc2n1
InChIInChI=1S/C16H16ClN3S/c1-4-10-7-8-21-14(10)16-18-13-6-5-11(20(2)3)9-12(13)15(17)19-16/h5-9H,4H2,1-3H3
InChIKeyQYJMQUXGWZVPFA-UHFFFAOYSA-N
XLogP4.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine
CID 114591367
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
CID 80645436
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
4-ethyl-N,N,2-trimethylquinolin-6-amine
CID 157043739
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
CID 79975310
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
CID 114591036
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine?
The IUPAC name of 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine (CID 114591378) is 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine.
What is the SMILES notation for 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine?
The canonical SMILES for 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine is CCc1ccsc1-c1nc(Cl)c2cc(N(C)C)ccc2n1.
What is the InChIKey of 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine?
The InChIKey is QYJMQUXGWZVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-4-10-7-8-21-14(10)16-18-13-6-5-11(20(2)3)9-12(13)15(17)19-16/h5-9H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine?
4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine has a molecular weight of 317.85 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine is sourced from PubChem (CID 114591378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).