2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one

C15H21N3O — CID 162424449

IUPAC2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)CCN(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H21N3O/c1-11(2)8-9-18(3)10-14-16-13-7-5-4-6-12(13)15(19)17-14/h4-7,11H,8-10H2,1-3H3,(H,16,17,19)
InChIKeyUVMYEMYWRAPEPK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 162424449) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID162424449
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)CCN(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H21N3O/c1-11(2)8-9-18(3)10-14-16-13-7-5-4-6-12(13)15(19)17-14/h4-7,11H,8-10H2,1-3H3,(H,16,17,19)
InChIKeyUVMYEMYWRAPEPK-UHFFFAOYSA-N
XLogP2.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one
CID 137062638
2-[[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135909602
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135997910

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one (CID 162424449) is 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one is CC(C)CCN(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is UVMYEMYWRAPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)8-9-18(3)10-14-16-13-7-5-4-6-12(13)15(19)17-14/h4-7,11H,8-10H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 162424449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).