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

C17H15N5O — CID 44968254

IUPACN-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine
SMILESCc1occc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1
InChIInChI=1S/C17H15N5O/c1-11-13(4-7-23-11)12-2-3-15-14(8-12)17(22-10-21-15)20-9-16-18-5-6-19-16/h2-8,10H,9H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyYSDOSTQWHPSDBP-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.53
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine (PubChem CID 44968254) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine
PubChem CID44968254
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine
SMILESCc1occc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1
InChIInChI=1S/C17H15N5O/c1-11-13(4-7-23-11)12-2-3-15-14(8-12)17(22-10-21-15)20-9-16-18-5-6-19-16/h2-8,10H,9H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyYSDOSTQWHPSDBP-UHFFFAOYSA-N
XLogP3.53
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine (CID 44968254) is N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine is Cc1occc1-c1ccc2ncnc(NCc3ncc[nH]3)c2c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine?
The InChIKey is YSDOSTQWHPSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-13(4-7-23-11)12-2-3-15-14(8-12)17(22-10-21-15)20-9-16-18-5-6-19-16/h2-8,10H,9H2,1H3,(H,18,19)(H,20,21,22).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine?
N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine is sourced from PubChem (CID 44968254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).