N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine

C21H19N3O2 — CID 3234439

IUPACN-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1cccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C21H19N3O2/c1-24(14-17-9-6-12-26-17)21-18-10-3-4-11-19(18)22-20(23-21)15-7-5-8-16(13-15)25-2/h3-13H,14H2,1-2H3
InChIKeyBUAZWNCFWAZJLD-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.53
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine

N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 3234439) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID3234439
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1cccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C21H19N3O2/c1-24(14-17-9-6-12-26-17)21-18-10-3-4-11-19(18)22-20(23-21)15-7-5-8-16(13-15)25-2/h3-13H,14H2,1-2H3
InChIKeyBUAZWNCFWAZJLD-UHFFFAOYSA-N
XLogP4.53
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine (CID 3234439) is N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine is COc1cccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is BUAZWNCFWAZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-24(14-17-9-6-12-26-17)21-18-10-3-4-11-19(18)22-20(23-21)15-7-5-8-16(13-15)25-2/h3-13H,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine?
N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 345.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3234439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).