6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

C22H22N4O — CID 3235372

IUPAC6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(C)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1
InChIInChI=1S/C22H22N4O/c1-25(2)18-9-6-16(7-10-18)17-8-11-21-20(13-17)22(24-15-23-21)26(3)14-19-5-4-12-27-19/h4-13,15H,14H2,1-3H3
InChIKeyUSOJHPWMWKKVNU-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.59
Rot. Bonds5

About 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (PubChem CID 3235372) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
PubChem CID3235372
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(C)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1
InChIInChI=1S/C22H22N4O/c1-25(2)18-9-6-16(7-10-18)17-8-11-21-20(13-17)22(24-15-23-21)26(3)14-19-5-4-12-27-19/h4-13,15H,14H2,1-3H3
InChIKeyUSOJHPWMWKKVNU-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 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (CID 3235372) is 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is CN(C)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The InChIKey is USOJHPWMWKKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25(2)18-9-6-16(7-10-18)17-8-11-21-20(13-17)22(24-15-23-21)26(3)14-19-5-4-12-27-19/h4-13,15H,14H2,1-3H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
6-[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 6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3235372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).