N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide

C22H27N3O3 — CID 56886408

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)NC3CC(=O)N(CC4CCCCC4)C3)c2c1
InChIInChI=1S/C22H27N3O3/c1-14-7-8-19-17(9-14)18(11-20(26)24-19)22(28)23-16-10-21(27)25(13-16)12-15-5-3-2-4-6-15/h7-9,11,15-16H,2-6,10,12-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyDNDKHPRCBWNKBV-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.75
Rot. Bonds4

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 56886408) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID56886408
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)NC3CC(=O)N(CC4CCCCC4)C3)c2c1
InChIInChI=1S/C22H27N3O3/c1-14-7-8-19-17(9-14)18(11-20(26)24-19)22(28)23-16-10-21(27)25(13-16)12-15-5-3-2-4-6-15/h7-9,11,15-16H,2-6,10,12-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyDNDKHPRCBWNKBV-UHFFFAOYSA-N
XLogP2.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906860
6-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906857
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 56885981
6-methyl-2-oxo-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1H-quinoline-4-carboxamide
CID 126433679
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 45251623
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 121499260
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
CID 56894877
N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204425
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45215715
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 56886408) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide is Cc1ccc2[nH]c(=O)cc(C(=O)NC3CC(=O)N(CC4CCCCC4)C3)c2c1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is DNDKHPRCBWNKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-7-8-19-17(9-14)18(11-20(26)24-19)22(28)23-16-10-21(27)25(13-16)12-15-5-3-2-4-6-15/h7-9,11,15-16H,2-6,10,12-13H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 56886408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).