2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one

C18H19N3O2 — CID 135756594

IUPAC2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1CN(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N3O2/c1-21(11-13-7-3-6-10-16(13)23-2)12-17-19-15-9-5-4-8-14(15)18(22)20-17/h3-10H,11-12H2,1-2H3,(H,19,20,22)
InChIKeyMUMAZVRZFPWFBW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds5

About 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one

2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135756594) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID135756594
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1CN(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N3O2/c1-21(11-13-7-3-6-10-16(13)23-2)12-17-19-15-9-5-4-8-14(15)18(22)20-17/h3-10H,11-12H2,1-2H3,(H,19,20,22)
InChIKeyMUMAZVRZFPWFBW-UHFFFAOYSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135960509
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
CID 135808188
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one (CID 135756594) is 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one is COc1ccccc1CN(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is MUMAZVRZFPWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(11-13-7-3-6-10-16(13)23-2)12-17-19-15-9-5-4-8-14(15)18(22)20-17/h3-10H,11-12H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135756594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).