2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

C17H22N2O2 — CID 4110127

IUPAC2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-11-5-6-12-10-13(15(20)19-14(12)9-11)7-8-18-16(21)17(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyJZFCEVYNDROJTG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.54
Rot. Bonds3

About 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (PubChem CID 4110127) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
PubChem CID4110127
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-11-5-6-12-10-13(15(20)19-14(12)9-11)7-8-18-16(21)17(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyJZFCEVYNDROJTG-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (CID 4110127) is 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is Cc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is JZFCEVYNDROJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-5-6-12-10-13(15(20)19-14(12)9-11)7-8-18-16(21)17(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 4110127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).