N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

C17H22N2O2 — CID 110390011

IUPACN-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCc1cc2ccc(CCC(=O)NC(C)(C)C)cc2[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-11-9-13-7-5-12(10-14(13)18-16(11)21)6-8-15(20)19-17(2,3)4/h5,7,9-10H,6,8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeySIMXZGWBZIDBIT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (PubChem CID 110390011) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
PubChem CID110390011
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCc1cc2ccc(CCC(=O)NC(C)(C)C)cc2[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-11-9-13-7-5-12(10-14(13)18-16(11)21)6-8-15(20)19-17(2,3)4/h5,7,9-10H,6,8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeySIMXZGWBZIDBIT-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-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389946
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389986
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014
N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390013
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389997
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110389980
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-(2-methylphenyl)propanamide
CID 110390135
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131415

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (CID 110390011) is N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is Cc1cc2ccc(CCC(=O)NC(C)(C)C)cc2[nH]c1=O.
What is the InChIKey of N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The InChIKey is SIMXZGWBZIDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-9-13-7-5-12(10-14(13)18-16(11)21)6-8-15(20)19-17(2,3)4/h5,7,9-10H,6,8H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-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-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is sourced from PubChem (CID 110390011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).