6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C18H14N4O — CID 3235429

IUPAC6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESc1cncc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1
InChIInChI=1S/C18H14N4O/c1-2-13(9-19-6-1)10-20-18-16-8-14(15-5-7-23-11-15)3-4-17(16)21-12-22-18/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyYZPNUYIMLUURTL-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.90
Rot. Bonds4

About 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 3235429) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID3235429
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESc1cncc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1
InChIInChI=1S/C18H14N4O/c1-2-13(9-19-6-1)10-20-18-16-8-14(15-5-7-23-11-15)3-4-17(16)21-12-22-18/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyYZPNUYIMLUURTL-UHFFFAOYSA-N
XLogP3.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 3235429) is 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is c1cncc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1.
What is the InChIKey of 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is YZPNUYIMLUURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-2-13(9-19-6-1)10-20-18-16-8-14(15-5-7-23-11-15)3-4-17(16)21-12-22-18/h1-9,11-12H,10H2,(H,20,21,22).
What are the key properties of 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3235429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).