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

C19H21N3O — CID 135512157

IUPAC2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCCc1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-3-14-8-10-15(11-9-14)12-22(2)13-18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11H,3,12-13H2,1-2H3,(H,20,21,23)
InChIKeyATHFBIVBFBWLKU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.12
Rot. Bonds5

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

2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135512157) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID135512157
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCCc1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-3-14-8-10-15(11-9-14)12-22(2)13-18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11H,3,12-13H2,1-2H3,(H,20,21,23)
InChIKeyATHFBIVBFBWLKU-UHFFFAOYSA-N
XLogP3.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135579792
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
CID 135535644
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
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
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one (CID 135512157) is 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one is CCc1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is ATHFBIVBFBWLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-14-8-10-15(11-9-14)12-22(2)13-18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11H,3,12-13H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135512157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).