6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine

C24H19N3O3S — CID 122628532

IUPAC6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4ccsc34)c2cc1OC
InChIInChI=1S/C24H19N3O3S/c1-28-21-12-17-19(13-22(21)29-2)25-14-26-24(17)27-18-8-9-20(16-10-11-31-23(16)18)30-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,26,27)
InChIKeyDGTGNMPQPKAUGT-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.40
Rot. Bonds6

About 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine

6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine (PubChem CID 122628532) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
PubChem CID122628532
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4ccsc34)c2cc1OC
InChIInChI=1S/C24H19N3O3S/c1-28-21-12-17-19(13-22(21)29-2)25-14-26-24(17)27-18-8-9-20(16-10-11-31-23(16)18)30-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,26,27)
InChIKeyDGTGNMPQPKAUGT-UHFFFAOYSA-N
XLogP6.40
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine
CID 159040871
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine
CID 159040870
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 54450095
6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
CID 167215906
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]benzoic acid
CID 69053494

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine (CID 122628532) is 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4ccsc34)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine?
The InChIKey is DGTGNMPQPKAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-28-21-12-17-19(13-22(21)29-2)25-14-26-24(17)27-18-8-9-20(16-10-11-31-23(16)18)30-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine?
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine has a molecular weight of 429.50 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine is sourced from PubChem (CID 122628532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).