N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine

C21H19N3O3 — CID 3234647

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c(OC)c1
InChIInChI=1S/C21H19N3O3/c1-25-17-5-3-15(20(10-17)26-2)11-22-21-18-9-14(16-7-8-27-12-16)4-6-19(18)23-13-24-21/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChIKeySAYDWYDBMRKGEW-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.52
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine (PubChem CID 3234647) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine
PubChem CID3234647
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c(OC)c1
InChIInChI=1S/C21H19N3O3/c1-25-17-5-3-15(20(10-17)26-2)11-22-21-18-9-14(16-7-8-27-12-16)4-6-19(18)23-13-24-21/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChIKeySAYDWYDBMRKGEW-UHFFFAOYSA-N
XLogP4.52
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine (CID 3234647) is N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine is COc1ccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine?
The InChIKey is SAYDWYDBMRKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-25-17-5-3-15(20(10-17)26-2)11-22-21-18-9-14(16-7-8-27-12-16)4-6-19(18)23-13-24-21/h3-10,12-13H,11H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine has a molecular weight of 361.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine is sourced from PubChem (CID 3234647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).