6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine

C27H31N3O3S — CID 167215906

IUPAC6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
SMILESCCCC(CCC)Oc1cc2c(Nc3cc(-c4cccs4)ccc3OC)ncnc2cc1OC
InChIInChI=1S/C27H31N3O3S/c1-5-8-19(9-6-2)33-25-15-20-21(16-24(25)32-4)28-17-29-27(20)30-22-14-18(11-12-23(22)31-3)26-10-7-13-34-26/h7,10-17,19H,5-6,8-9H2,1-4H3,(H,28,29,30)
InChIKeySNCNECLJELXZDB-UHFFFAOYSA-N
MW477.63 g/mol
LogP7.47
Rot. Bonds11

About 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine

6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine (PubChem CID 167215906) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
PubChem CID167215906
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC Name6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
SMILESCCCC(CCC)Oc1cc2c(Nc3cc(-c4cccs4)ccc3OC)ncnc2cc1OC
InChIInChI=1S/C27H31N3O3S/c1-5-8-19(9-6-2)33-25-15-20-21(16-24(25)32-4)28-17-29-27(20)30-22-14-18(11-12-23(22)31-3)26-10-7-13-34-26/h7,10-17,19H,5-6,8-9H2,1-4H3,(H,28,29,30)
InChIKeySNCNECLJELXZDB-UHFFFAOYSA-N
XLogP7.47
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
CID 175812343
N-[5-(2,6-difluoro-3-pyridinyl)-2-methoxyphenyl]-6-hexan-3-yloxy-7-methoxyquinazolin-4-amine
CID 167216065
6-(1-deuteriopiperidin-4-yl)oxy-N-(2-ethoxy-5-thiophen-2-ylphenyl)-7-methoxyquinazolin-4-amine
CID 175812239
N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine
CID 167215932
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534
1-[3-fluoro-4-[7-methoxy-4-(2-methoxy-5-thiophen-2-ylanilino)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086213
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526

Frequently Asked Questions

What is the IUPAC name of 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine (CID 167215906) is 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine is CCCC(CCC)Oc1cc2c(Nc3cc(-c4cccs4)ccc3OC)ncnc2cc1OC.
What is the InChIKey of 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
The InChIKey is SNCNECLJELXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-5-8-19(9-6-2)33-25-15-20-21(16-24(25)32-4)28-17-29-27(20)30-22-14-18(11-12-23(22)31-3)26-10-7-13-34-26/h7,10-17,19H,5-6,8-9H2,1-4H3,(H,28,29,30).
What are the key properties of 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine has a molecular weight of 477.63 g/mol, XLogP of 7.47, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 167215906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).