N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C20H26N2O2 — CID 645291

IUPACN-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-13-9-14(2)18-11-16(20(24)21-19(18)10-13)12-22(15(3)23)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyCRRACWHCQBUBBT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.83
Rot. Bonds3

About N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 645291) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID645291
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-13-9-14(2)18-11-16(20(24)21-19(18)10-13)12-22(15(3)23)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyCRRACWHCQBUBBT-UHFFFAOYSA-N
XLogP3.83
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 645291) is N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is CRRACWHCQBUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-9-14(2)18-11-16(20(24)21-19(18)10-13)12-22(15(3)23)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3,(H,21,24).
What are the key properties of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 645291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).