6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine

C24H25N3O3S — CID 142432726

IUPAC6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc(C(C)Nc3nc(C)nc4cc(OC)c(OC)cc34)s2)c1
InChIInChI=1S/C24H25N3O3S/c1-14(22-9-10-23(31-22)16-7-6-8-17(11-16)28-3)25-24-18-12-20(29-4)21(30-5)13-19(18)26-15(2)27-24/h6-14H,1-5H3,(H,25,26,27)
InChIKeyHRXLJTOEQVNLIS-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.87
Rot. Bonds7

About 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine

6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine (PubChem CID 142432726) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine
PubChem CID142432726
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc(C(C)Nc3nc(C)nc4cc(OC)c(OC)cc34)s2)c1
InChIInChI=1S/C24H25N3O3S/c1-14(22-9-10-23(31-22)16-7-6-8-17(11-16)28-3)25-24-18-12-20(29-4)21(30-5)13-19(18)26-15(2)27-24/h6-14H,1-5H3,(H,25,26,27)
InChIKeyHRXLJTOEQVNLIS-UHFFFAOYSA-N
XLogP5.87
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine (CID 142432726) is 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine is COc1cccc(-c2ccc(C(C)Nc3nc(C)nc4cc(OC)c(OC)cc34)s2)c1.
What is the InChIKey of 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine?
The InChIKey is HRXLJTOEQVNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-14(22-9-10-23(31-22)16-7-6-8-17(11-16)28-3)25-24-18-12-20(29-4)21(30-5)13-19(18)26-15(2)27-24/h6-14H,1-5H3,(H,25,26,27).
What are the key properties of 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine?
6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine has a molecular weight of 435.55 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine is sourced from PubChem (CID 142432726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).