2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

C22H22N4O — CID 3234022

IUPAC2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N4O/c1-25(2)17-12-10-16(11-13-17)21-23-20-9-5-4-8-19(20)22(24-21)26(3)15-18-7-6-14-27-18/h4-14H,15H2,1-3H3
InChIKeyNYIAMZTVDFGSMO-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.59
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (PubChem CID 3234022) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
PubChem CID3234022
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N4O/c1-25(2)17-12-10-16(11-13-17)21-23-20-9-5-4-8-19(20)22(24-21)26(3)15-18-7-6-14-27-18/h4-14H,15H2,1-3H3
InChIKeyNYIAMZTVDFGSMO-UHFFFAOYSA-N
XLogP4.59
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (CID 3234022) is 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is CN(C)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The InChIKey is NYIAMZTVDFGSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25(2)17-12-10-16(11-13-17)21-23-20-9-5-4-8-19(20)22(24-21)26(3)15-18-7-6-14-27-18/h4-14H,15H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3234022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).