4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide

C20H21N3O2 — CID 110666046

IUPAC4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N(C)C)cc3)ccc2[nH]c1=O
InChIInChI=1S/C20H21N3O2/c1-13-10-16-11-14(4-9-18(16)22-19(13)24)12-21-20(25)15-5-7-17(8-6-15)23(2)3/h4-11H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyXWHSTLYJKRPONB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds4

About 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide

4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide (PubChem CID 110666046) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
PubChem CID110666046
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N(C)C)cc3)ccc2[nH]c1=O
InChIInChI=1S/C20H21N3O2/c1-13-10-16-11-14(4-9-18(16)22-19(13)24)12-21-20(25)15-5-7-17(8-6-15)23(2)3/h4-11H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyXWHSTLYJKRPONB-UHFFFAOYSA-N
XLogP2.83
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044
3-methoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666080
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110794915
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300545
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 110668205
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
CID 110666063
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide (CID 110666046) is 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3ccc(N(C)C)cc3)ccc2[nH]c1=O.
What is the InChIKey of 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The InChIKey is XWHSTLYJKRPONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-10-16-11-14(4-9-18(16)22-19(13)24)12-21-20(25)15-5-7-17(8-6-15)23(2)3/h4-11H,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide is sourced from PubChem (CID 110666046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).