3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one

C17H17N3O2 — CID 3237873

IUPAC3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one
SMILESCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-10,18H,11H2,1-2H3
InChIKeyFRMVUNIAPQHFFE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.46
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one

3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one (PubChem CID 3237873) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one
PubChem CID3237873
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one
SMILESCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-10,18H,11H2,1-2H3
InChIKeyFRMVUNIAPQHFFE-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one (CID 3237873) is 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one is COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one?
The InChIKey is FRMVUNIAPQHFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-10,18H,11H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one?
3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 3237873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).