2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine

C15H15N3OS — CID 81129462

IUPAC2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(OC)cs2)nc2c(C)cccc12
InChIInChI=1S/C15H15N3OS/c1-9-5-4-6-11-13(9)17-15(18-14(11)16-2)12-7-10(19-3)8-20-12/h4-8H,1-3H3,(H,16,17,18)
InChIKeyNFSMMFJLJGJNFV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine

2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine (PubChem CID 81129462) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine
PubChem CID81129462
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(OC)cs2)nc2c(C)cccc12
InChIInChI=1S/C15H15N3OS/c1-9-5-4-6-11-13(9)17-15(18-14(11)16-2)12-7-10(19-3)8-20-12/h4-8H,1-3H3,(H,16,17,18)
InChIKeyNFSMMFJLJGJNFV-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine?
The IUPAC name of 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine (CID 81129462) is 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine is CNc1nc(-c2cc(OC)cs2)nc2c(C)cccc12.
What is the InChIKey of 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine?
The InChIKey is NFSMMFJLJGJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-5-4-6-11-13(9)17-15(18-14(11)16-2)12-7-10(19-3)8-20-12/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine?
2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxythiophen-2-yl)-N,8-dimethylquinazolin-4-amine is sourced from PubChem (CID 81129462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).