6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine

C20H17N3O — CID 3234345

IUPAC6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1
InChIInChI=1S/C20H17N3O/c1-14-3-2-4-15(9-14)11-21-20-18-10-16(17-7-8-24-12-17)5-6-19(18)22-13-23-20/h2-10,12-13H,11H2,1H3,(H,21,22,23)
InChIKeyDBTWZLIQIQEKBB-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.81
Rot. Bonds4

About 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine

6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 3234345) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
PubChem CID3234345
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1
InChIInChI=1S/C20H17N3O/c1-14-3-2-4-15(9-14)11-21-20-18-10-16(17-7-8-24-12-17)5-6-19(18)22-13-23-20/h2-10,12-13H,11H2,1H3,(H,21,22,23)
InChIKeyDBTWZLIQIQEKBB-UHFFFAOYSA-N
XLogP4.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine (CID 3234345) is 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine is Cc1cccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1.
What is the InChIKey of 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is DBTWZLIQIQEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-3-2-4-15(9-14)11-21-20-18-10-16(17-7-8-24-12-17)5-6-19(18)22-13-23-20/h2-10,12-13H,11H2,1H3,(H,21,22,23).
What are the key properties of 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).