4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C23H27ClN2O2 — CID 123176097

IUPAC4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCN1CCCc2cc(-c3cc(C(=O)NC4CCC(O)CC4)ccc3Cl)ccc21
InChIInChI=1S/C23H27ClN2O2/c1-26-12-2-3-16-13-15(5-11-22(16)26)20-14-17(4-10-21(20)24)23(28)25-18-6-8-19(27)9-7-18/h4-5,10-11,13-14,18-19,27H,2-3,6-9,12H2,1H3,(H,25,28)
InChIKeySHURMINHDAEVBF-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 123176097) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID123176097
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCN1CCCc2cc(-c3cc(C(=O)NC4CCC(O)CC4)ccc3Cl)ccc21
InChIInChI=1S/C23H27ClN2O2/c1-26-12-2-3-16-13-15(5-11-22(16)26)20-14-17(4-10-21(20)24)23(28)25-18-6-8-19(27)9-7-18/h4-5,10-11,13-14,18-19,27H,2-3,6-9,12H2,1H3,(H,25,28)
InChIKeySHURMINHDAEVBF-UHFFFAOYSA-N
XLogP4.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[5-[2-chloro-5-(cyclohexylcarbamoyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carboxamide
CID 163199817
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376
4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119228969
1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 82541625
N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
CID 26360963
N-[5-[2-chloro-5-(cyclohexylcarbamoyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-[2-(trimethyl-λ4-sulfanyl)ethoxy]pyridine-3-carboxamide;1,1,1-trifluoroethane
CID 145360217
N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 155505202
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313318
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 123176097) is 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CN1CCCc2cc(-c3cc(C(=O)NC4CCC(O)CC4)ccc3Cl)ccc21.
What is the InChIKey of 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is SHURMINHDAEVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-26-12-2-3-16-13-15(5-11-22(16)26)20-14-17(4-10-21(20)24)23(28)25-18-6-8-19(27)9-7-18/h4-5,10-11,13-14,18-19,27H,2-3,6-9,12H2,1H3,(H,25,28).
What are the key properties of 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 398.93 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 123176097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).