N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide

C18H18N4O — CID 36790361

IUPACN-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-19-18(23)14-9-7-13(8-10-14)11-22(2)17-15-5-3-4-6-16(15)20-12-21-17/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyXGLGEDHLUDNARH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide

N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide (PubChem CID 36790361) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
PubChem CID36790361
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-19-18(23)14-9-7-13(8-10-14)11-22(2)17-15-5-3-4-6-16(15)20-12-21-17/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyXGLGEDHLUDNARH-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
CID 9323479
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437388
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075
N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
CID 122550258
N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
CID 75463659
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
CID 24516597
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide (CID 36790361) is N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)c2ncnc3ccccc23)cc1.
What is the InChIKey of N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide?
The InChIKey is XGLGEDHLUDNARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-19-18(23)14-9-7-13(8-10-14)11-22(2)17-15-5-3-4-6-16(15)20-12-21-17/h3-10,12H,11H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide?
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 36790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).