2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one

C21H19N3O — CID 135890821

IUPAC2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c1-24(13-16-9-6-8-15-7-2-3-10-17(15)16)14-20-22-19-12-5-4-11-18(19)21(25)23-20/h2-12H,13-14H2,1H3,(H,22,23,25)
InChIKeyBPSQDZMIQNYCFL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.71
Rot. Bonds4

About 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one

2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135890821) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135890821
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c1-24(13-16-9-6-8-15-7-2-3-10-17(15)16)14-20-22-19-12-5-4-11-18(19)21(25)23-20/h2-12H,13-14H2,1H3,(H,22,23,25)
InChIKeyBPSQDZMIQNYCFL-UHFFFAOYSA-N
XLogP3.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807
2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135687482
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
CID 135535644

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one (CID 135890821) is 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12.
What is the InChIKey of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is BPSQDZMIQNYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-24(13-16-9-6-8-15-7-2-3-10-17(15)16)14-20-22-19-12-5-4-11-18(19)21(25)23-20/h2-12H,13-14H2,1H3,(H,22,23,25).
What are the key properties of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135890821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).