6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

C18H15N3O2 — CID 3233956

IUPAC6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1ncnc2ccc(-c3ccoc3)cc12
InChIInChI=1S/C18H15N3O2/c1-21(10-15-3-2-7-23-15)18-16-9-13(14-6-8-22-11-14)4-5-17(16)19-12-20-18/h2-9,11-12H,10H2,1H3
InChIKeyHPEXDGPTJGDENZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.12
Rot. Bonds4

About 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (PubChem CID 3233956) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
PubChem CID3233956
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1ncnc2ccc(-c3ccoc3)cc12
InChIInChI=1S/C18H15N3O2/c1-21(10-15-3-2-7-23-15)18-16-9-13(14-6-8-22-11-14)4-5-17(16)19-12-20-18/h2-9,11-12H,10H2,1H3
InChIKeyHPEXDGPTJGDENZ-UHFFFAOYSA-N
XLogP4.12
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (CID 3233956) is 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is CN(Cc1ccco1)c1ncnc2ccc(-c3ccoc3)cc12.
What is the InChIKey of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The InChIKey is HPEXDGPTJGDENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-21(10-15-3-2-7-23-15)18-16-9-13(14-6-8-22-11-14)4-5-17(16)19-12-20-18/h2-9,11-12H,10H2,1H3.
What are the key properties of 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3233956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).