2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine

C15H15N3O2 — CID 3234842

IUPAC2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-19-9-7-16-15-12-4-2-3-5-13(12)17-14(18-15)11-6-8-20-10-11/h2-6,8,10H,7,9H2,1H3,(H,16,17,18)
InChIKeyAJWZNPHKLAIAJV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.95
Rot. Bonds5

About 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine

2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine (PubChem CID 3234842) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine
PubChem CID3234842
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-19-9-7-16-15-12-4-2-3-5-13(12)17-14(18-15)11-6-8-20-10-11/h2-6,8,10H,7,9H2,1H3,(H,16,17,18)
InChIKeyAJWZNPHKLAIAJV-UHFFFAOYSA-N
XLogP2.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine (CID 3234842) is 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine is COCCNc1nc(-c2ccoc2)nc2ccccc12.
What is the InChIKey of 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
The InChIKey is AJWZNPHKLAIAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-9-7-16-15-12-4-2-3-5-13(12)17-14(18-15)11-6-8-20-10-11/h2-6,8,10H,7,9H2,1H3,(H,16,17,18).
What are the key properties of 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine has a molecular weight of 269.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(2-methoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 3234842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).