8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide

C22H28N2O3 — CID 169199896

IUPAC8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide
SMILESCOC[C@H](CO)NC(=O)c1cnc2c(C3=CCC(C)(C)CC3)cccc2c1
InChIInChI=1S/C22H28N2O3/c1-22(2)9-7-15(8-10-22)19-6-4-5-16-11-17(12-23-20(16)19)21(26)24-18(13-25)14-27-3/h4-7,11-12,18,25H,8-10,13-14H2,1-3H3,(H,24,26)/t18-/m0/s1
InChIKeyYXCJAZIXMQEAQO-SFHVURJKSA-N
MW368.48 g/mol
LogP3.57
Rot. Bonds6

About 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide

8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide (PubChem CID 169199896) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide
PubChem CID169199896
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide
SMILESCOC[C@H](CO)NC(=O)c1cnc2c(C3=CCC(C)(C)CC3)cccc2c1
InChIInChI=1S/C22H28N2O3/c1-22(2)9-7-15(8-10-22)19-6-4-5-16-11-17(12-23-20(16)19)21(26)24-18(13-25)14-27-3/h4-7,11-12,18,25H,8-10,13-14H2,1-3H3,(H,24,26)/t18-/m0/s1
InChIKeyYXCJAZIXMQEAQO-SFHVURJKSA-N
XLogP3.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide with MolForge

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Related Compounds

SN-28049
CID 9862688
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CID 1600362
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CID 25208598
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568
N-[2-(2-fluorophenyl)ethyl]quinoline-8-carboxamide
CID 9508170
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-3-carboxamide
CID 10049290
2-butyl-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
CID 10861817
N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
CID 10958297
N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide
CID 10993661
N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
CID 11761087
Quinoline-3-carboxylic acid ((1S,2S,4R)-1-cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
CID 44308819

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide (CID 169199896) is 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide is COC[C@H](CO)NC(=O)c1cnc2c(C3=CCC(C)(C)CC3)cccc2c1.
What is the InChIKey of 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide?
The InChIKey is YXCJAZIXMQEAQO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-22(2)9-7-15(8-10-22)19-6-4-5-16-11-17(12-23-20(16)19)21(26)24-18(13-25)14-27-3/h4-7,11-12,18,25H,8-10,13-14H2,1-3H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide?
8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 169199896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).