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

C25H26N4O — CID 3235135

IUPAC6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccccc3CN(C)C)cc12
InChIInChI=1S/C25H26N4O/c1-29(2)16-20-9-4-6-10-21(20)18-12-13-23-22(14-18)25(28-17-27-23)26-15-19-8-5-7-11-24(19)30-3/h4-14,17H,15-16H2,1-3H3,(H,26,27,28)
InChIKeyOFPFHQYNZUOFRF-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.98
Rot. Bonds7

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

6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3235135) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3235135
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccccc3CN(C)C)cc12
InChIInChI=1S/C25H26N4O/c1-29(2)16-20-9-4-6-10-21(20)18-12-13-23-22(14-18)25(28-17-27-23)26-15-19-8-5-7-11-24(19)30-3/h4-14,17H,15-16H2,1-3H3,(H,26,27,28)
InChIKeyOFPFHQYNZUOFRF-UHFFFAOYSA-N
XLogP4.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
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-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3235135) is 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CNc1ncnc2ccc(-c3ccccc3CN(C)C)cc12.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is OFPFHQYNZUOFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-29(2)16-20-9-4-6-10-21(20)18-12-13-23-22(14-18)25(28-17-27-23)26-15-19-8-5-7-11-24(19)30-3/h4-14,17H,15-16H2,1-3H3,(H,26,27,28).
What are the key properties of 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 398.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3235135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).