6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine

C17H17N3O2S — CID 1714

IUPAC6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC
InChIInChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyFUSDVOSGGMBSMK-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.11
Rot. Bonds5

About 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine

6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine (PubChem CID 1714) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine
PubChem CID1714
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC
InChIInChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyFUSDVOSGGMBSMK-UHFFFAOYSA-N
XLogP4.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Erlotinib
CID 176870
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
PD-153035
CID 4705
Icotinib
CID 22024915
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
N-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 1474852
Whi-P154
CID 3795
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187
Whi-p131
CID 3794
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
4-(3-Bromoanilino)-6,7-diethoxyquinazoline
CID 2857

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine (CID 1714) is 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine is COc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine?
The InChIKey is FUSDVOSGGMBSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(3-methylsulfanylphenyl)quinazolin-4-amine has a molecular weight of 327.41 g/mol, XLogP of 4.11, 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-(3-methylsulfanylphenyl)quinazolin-4-amine is sourced from PubChem (CID 1714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).