4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide

C21H24N2O2 — CID 18571261

IUPAC4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-8-5-14(6-9-16)20(25)22-17-10-11-18-15(13-17)7-12-19(24)23(18)4/h5-6,8-11,13H,7,12H2,1-4H3,(H,22,25)
InChIKeyLQNPWICFMLGQJH-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.15
Rot. Bonds2

About 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide

4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide (PubChem CID 18571261) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
PubChem CID18571261
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-8-5-14(6-9-16)20(25)22-17-10-11-18-15(13-17)7-12-19(24)23(18)4/h5-6,8-11,13H,7,12H2,1-4H3,(H,22,25)
InChIKeyLQNPWICFMLGQJH-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
CID 19760245
2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 120528737
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
ethyl 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoate
CID 19760190
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
4-methoxy-2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 71842984
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide (CID 18571261) is 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide is CN1C(=O)CCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide?
The InChIKey is LQNPWICFMLGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,3)16-8-5-14(6-9-16)20(25)22-17-10-11-18-15(13-17)7-12-19(24)23(18)4/h5-6,8-11,13H,7,12H2,1-4H3,(H,22,25).
What are the key properties of 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide?
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide is sourced from PubChem (CID 18571261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).