4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide

C25H24N4O2 — CID 3235397

IUPAC4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C25H24N4O2/c1-29(2)25(30)18-10-8-17(9-11-18)19-12-13-22-21(14-19)24(28-16-27-22)26-15-20-6-4-5-7-23(20)31-3/h4-14,16H,15H2,1-3H3,(H,26,27,28)
InChIKeyFPSSHDGVWLFGKY-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.62
Rot. Bonds6

About 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide

4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide (PubChem CID 3235397) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide
PubChem CID3235397
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C25H24N4O2/c1-29(2)25(30)18-10-8-17(9-11-18)19-12-13-22-21(14-19)24(28-16-27-22)26-15-20-6-4-5-7-23(20)31-3/h4-14,16H,15H2,1-3H3,(H,26,27,28)
InChIKeyFPSSHDGVWLFGKY-UHFFFAOYSA-N
XLogP4.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide (CID 3235397) is 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide is COc1ccccc1CNc1ncnc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12.
What is the InChIKey of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is FPSSHDGVWLFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29(2)25(30)18-10-8-17(9-11-18)19-12-13-22-21(14-19)24(28-16-27-22)26-15-20-6-4-5-7-23(20)31-3/h4-14,16H,15H2,1-3H3,(H,26,27,28).
What are the key properties of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide?
4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3235397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).