4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid

C19H24N2O4 — CID 120673139

IUPAC4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H24N2O4/c22-17(21-11-3-5-13-4-1-2-6-16(13)21)12-20-18(23)14-7-9-15(10-8-14)19(24)25/h1-2,4,6,14-15H,3,5,7-12H2,(H,20,23)(H,24,25)
InChIKeyDUDRLESFWXZATM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.97
Rot. Bonds4

About 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673139) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673139
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H24N2O4/c22-17(21-11-3-5-13-4-1-2-6-16(13)21)12-20-18(23)14-7-9-15(10-8-14)19(24)25/h1-2,4,6,14-15H,3,5,7-12H2,(H,20,23)(H,24,25)
InChIKeyDUDRLESFWXZATM-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119747301
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433473
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441773
1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 53125838
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120673139) is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DUDRLESFWXZATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(21-11-3-5-13-4-1-2-6-16(13)21)12-20-18(23)14-7-9-15(10-8-14)19(24)25/h1-2,4,6,14-15H,3,5,7-12H2,(H,20,23)(H,24,25).
What are the key properties of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).