2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C20H29N3O3 — CID 46405841

IUPAC2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCOc1cccc2c1N(CC(=O)NC(=O)NC1CCCCC1C)CCC2
InChIInChI=1S/C20H29N3O3/c1-14-7-3-4-10-16(14)21-20(25)22-18(24)13-23-12-6-9-15-8-5-11-17(26-2)19(15)23/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H2,21,22,24,25)
InChIKeyLNCQITLERDMMMV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.85
Rot. Bonds4

About 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 46405841) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID46405841
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCOc1cccc2c1N(CC(=O)NC(=O)NC1CCCCC1C)CCC2
InChIInChI=1S/C20H29N3O3/c1-14-7-3-4-10-16(14)21-20(25)22-18(24)13-23-12-6-9-15-8-5-11-17(26-2)19(15)23/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H2,21,22,24,25)
InChIKeyLNCQITLERDMMMV-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46601828
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
CID 120753909
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 55602216
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611579
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55353755
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 5149215
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
3-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-ol
CID 110907937
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663718

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 46405841) is 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide is COc1cccc2c1N(CC(=O)NC(=O)NC1CCCCC1C)CCC2.
What is the InChIKey of 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is LNCQITLERDMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-7-3-4-10-16(14)21-20(25)22-18(24)13-23-12-6-9-15-8-5-11-17(26-2)19(15)23/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 46405841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).