2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

C20H17N3O2 — CID 3234139

IUPAC2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C20H17N3O2/c1-24-18-9-5-2-6-14(18)12-21-20-16-7-3-4-8-17(16)22-19(23-20)15-10-11-25-13-15/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyAHWZAOPMZZOXQW-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.51
Rot. Bonds5

About 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3234139) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3234139
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C20H17N3O2/c1-24-18-9-5-2-6-14(18)12-21-20-16-7-3-4-8-17(16)22-19(23-20)15-10-11-25-13-15/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyAHWZAOPMZZOXQW-UHFFFAOYSA-N
XLogP4.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3234139) is 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CNc1nc(-c2ccoc2)nc2ccccc12.
What is the InChIKey of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is AHWZAOPMZZOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-18-9-5-2-6-14(18)12-21-20-16-7-3-4-8-17(16)22-19(23-20)15-10-11-25-13-15/h2-11,13H,12H2,1H3,(H,21,22,23).
What are the key properties of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 4.51, 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-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).