6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

C24H24N4O — CID 3234087

IUPAC6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C24H24N4O/c1-28(2)20-11-8-17(9-12-20)18-10-13-22-21(14-18)24(27-16-26-22)25-15-19-6-4-5-7-23(19)29-3/h4-14,16H,15H2,1-3H3,(H,25,26,27)
InChIKeyVLNJFWRQSQKQRQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.98
Rot. Bonds6

About 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3234087) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3234087
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C24H24N4O/c1-28(2)20-11-8-17(9-12-20)18-10-13-22-21(14-18)24(27-16-26-22)25-15-19-6-4-5-7-23(19)29-3/h4-14,16H,15H2,1-3H3,(H,25,26,27)
InChIKeyVLNJFWRQSQKQRQ-UHFFFAOYSA-N
XLogP4.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3234087) is 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CNc1ncnc2ccc(-c3ccc(N(C)C)cc3)cc12.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is VLNJFWRQSQKQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-28(2)20-11-8-17(9-12-20)18-10-13-22-21(14-18)24(27-16-26-22)25-15-19-6-4-5-7-23(19)29-3/h4-14,16H,15H2,1-3H3,(H,25,26,27).
What are the key properties of 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 384.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).