6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine

C14H13N3OS — CID 64980900

IUPAC6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2ccsc2)nc2ccc(OC)cc12
InChIInChI=1S/C14H13N3OS/c1-15-14-11-7-10(18-2)3-4-12(11)16-13(17-14)9-5-6-19-8-9/h3-8H,1-2H3,(H,15,16,17)
InChIKeyWIQDLAVITPPPQC-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.41
Rot. Bonds3

About 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine

6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 64980900) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine
PubChem CID64980900
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2ccsc2)nc2ccc(OC)cc12
InChIInChI=1S/C14H13N3OS/c1-15-14-11-7-10(18-2)3-4-12(11)16-13(17-14)9-5-6-19-8-9/h3-8H,1-2H3,(H,15,16,17)
InChIKeyWIQDLAVITPPPQC-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine (CID 64980900) is 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine is CNc1nc(-c2ccsc2)nc2ccc(OC)cc12.
What is the InChIKey of 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is WIQDLAVITPPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-15-14-11-7-10(18-2)3-4-12(11)16-13(17-14)9-5-6-19-8-9/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine?
6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 64980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).