N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C17H22N2O2 — CID 110331121

IUPACN-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cccc2cc(CCC(=O)NC(C)(C)C)c(=O)[nH]c12
InChIInChI=1S/C17H22N2O2/c1-11-6-5-7-12-10-13(16(21)18-15(11)12)8-9-14(20)19-17(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyVHOZUQFCWIYQLI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331121) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331121
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cccc2cc(CCC(=O)NC(C)(C)C)c(=O)[nH]c12
InChIInChI=1S/C17H22N2O2/c1-11-6-5-7-12-10-13(16(21)18-15(11)12)8-9-14(20)19-17(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyVHOZUQFCWIYQLI-UHFFFAOYSA-N
XLogP2.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331121) is N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cccc2cc(CCC(=O)NC(C)(C)C)c(=O)[nH]c12.
What is the InChIKey of N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is VHOZUQFCWIYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-6-5-7-12-10-13(16(21)18-15(11)12)8-9-14(20)19-17(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).