6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine

C15H14ClN3OS — CID 81128551

IUPAC6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine
SMILESCCNc1nc(-c2cc(OC)cs2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H14ClN3OS/c1-3-17-14-11-6-9(16)4-5-12(11)18-15(19-14)13-7-10(20-2)8-21-13/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyIQPHOZAJPPURMT-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.45
Rot. Bonds4

About 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine

6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine (PubChem CID 81128551) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine
PubChem CID81128551
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine
SMILESCCNc1nc(-c2cc(OC)cs2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H14ClN3OS/c1-3-17-14-11-6-9(16)4-5-12(11)18-15(19-14)13-7-10(20-2)8-21-13/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyIQPHOZAJPPURMT-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine
CID 107966565
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
CID 64981585
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
CID 24860253
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
CID 80642166
2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine
CID 81129462
6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
CID 80648476
2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine
CID 65237965
4,8-dichloro-2-(4-methoxythiophen-2-yl)-6-methylquinazoline
CID 114590837
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine (CID 81128551) is 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine is CCNc1nc(-c2cc(OC)cs2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine?
The InChIKey is IQPHOZAJPPURMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-3-17-14-11-6-9(16)4-5-12(11)18-15(19-14)13-7-10(20-2)8-21-13/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine?
6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 81128551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).