3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one

C20H20N4O — CID 56703370

IUPAC3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C20H20N4O/c1-13-7-8-16-14(9-13)10-15(20(25)23-16)11-24(2)12-19-21-17-5-3-4-6-18(17)22-19/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeySQDLYOHBMKFBGA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.34
Rot. Bonds4

About 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one

3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 56703370) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID56703370
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C20H20N4O/c1-13-7-8-16-14(9-13)10-15(20(25)23-16)11-24(2)12-19-21-17-5-3-4-6-18(17)22-19/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeySQDLYOHBMKFBGA-UHFFFAOYSA-N
XLogP3.34
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56719204
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56757986
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 92561496
3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 95216100
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56703217
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
CID 666351
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680

Frequently Asked Questions

What is the IUPAC name of 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one (CID 56703370) is 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(C)Cc3nc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is SQDLYOHBMKFBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-7-8-16-14(9-13)10-15(20(25)23-16)11-24(2)12-19-21-17-5-3-4-6-18(17)22-19/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 332.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 56703370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).