6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine

C16H13N5O — CID 44968262

IUPAC6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
SMILESc1c[nH]c(CNc2ncnc3ccc(-c4ccoc4)cc23)n1
InChIInChI=1S/C16H13N5O/c1-2-14-13(7-11(1)12-3-6-22-9-12)16(21-10-20-14)19-8-15-17-4-5-18-15/h1-7,9-10H,8H2,(H,17,18)(H,19,20,21)
InChIKeyBTMNKAWIJUZZKL-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.22
Rot. Bonds4

About 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine

6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 44968262) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
PubChem CID44968262
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
SMILESc1c[nH]c(CNc2ncnc3ccc(-c4ccoc4)cc23)n1
InChIInChI=1S/C16H13N5O/c1-2-14-13(7-11(1)12-3-6-22-9-12)16(21-10-20-14)19-8-15-17-4-5-18-15/h1-7,9-10H,8H2,(H,17,18)(H,19,20,21)
InChIKeyBTMNKAWIJUZZKL-UHFFFAOYSA-N
XLogP3.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine (CID 44968262) is 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine is c1c[nH]c(CNc2ncnc3ccc(-c4ccoc4)cc23)n1.
What is the InChIKey of 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
The InChIKey is BTMNKAWIJUZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-14-13(7-11(1)12-3-6-22-9-12)16(21-10-20-14)19-8-15-17-4-5-18-15/h1-7,9-10H,8H2,(H,17,18)(H,19,20,21).
What are the key properties of 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 44968262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).