6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C15H15N3O2S — CID 1490263

IUPAC6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3cccs3)c2cc1OC
InChIInChI=1S/C15H15N3O2S/c1-19-13-6-11-12(7-14(13)20-2)17-9-18-15(11)16-8-10-4-3-5-21-10/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeySZXQNJNKRNPSJD-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.32
Rot. Bonds5

About 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 1490263) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID1490263
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3cccs3)c2cc1OC
InChIInChI=1S/C15H15N3O2S/c1-19-13-6-11-12(7-14(13)20-2)17-9-18-15(11)16-8-10-4-3-5-21-10/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeySZXQNJNKRNPSJD-UHFFFAOYSA-N
XLogP3.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Whi-p131
CID 3794
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
Src Kinase Inhibitor I
CID 1474853
6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3232621
6,7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine
CID 5328202
4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
11N-112
CID 1474883

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 1490263) is 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1cc2ncnc(NCc3cccs3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is SZXQNJNKRNPSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-19-13-6-11-12(7-14(13)20-2)17-9-18-15(11)16-8-10-4-3-5-21-10/h3-7,9H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 1490263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).