3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one

C18H20N4O — CID 122133317

IUPAC3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
SMILESCN(CCc1ccccn1)Cc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H20N4O/c1-21(12-10-14-7-5-6-11-19-14)13-17-20-16-9-4-3-8-15(16)18(23)22(17)2/h3-9,11H,10,12-13H2,1-2H3
InChIKeyNEHLJMJOESLYHP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.00
Rot. Bonds5

About 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one

3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one (PubChem CID 122133317) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
PubChem CID122133317
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
SMILESCN(CCc1ccccn1)Cc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H20N4O/c1-21(12-10-14-7-5-6-11-19-14)13-17-20-16-9-4-3-8-15(16)18(23)22(17)2/h3-9,11H,10,12-13H2,1-2H3
InChIKeyNEHLJMJOESLYHP-UHFFFAOYSA-N
XLogP2.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one with MolForge

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Related Compounds

pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one
CID 111107881
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-N-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 50982350
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
CID 112799764
2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3-methylquinazolin-4-one
CID 170281880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one (CID 122133317) is 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one is CN(CCc1ccccn1)Cc1nc2ccccc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one?
The InChIKey is NEHLJMJOESLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(12-10-14-7-5-6-11-19-14)13-17-20-16-9-4-3-8-15(16)18(23)22(17)2/h3-9,11H,10,12-13H2,1-2H3.
What are the key properties of 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one?
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one is sourced from PubChem (CID 122133317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).