6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide

C22H26N2O3 — CID 58026748

IUPAC6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide
SMILESCOCCNC(=O)c1c(-c2ccccc2O)ccc2c1C(C)=CC(C)(C)N2
InChIInChI=1S/C22H26N2O3/c1-14-13-22(2,3)24-17-10-9-16(15-7-5-6-8-18(15)25)20(19(14)17)21(26)23-11-12-27-4/h5-10,13,24-25H,11-12H2,1-4H3,(H,23,26)
InChIKeyBCRYANCKCDDNEQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.04
Rot. Bonds5

About 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide

6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide (PubChem CID 58026748) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide
PubChem CID58026748
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide
SMILESCOCCNC(=O)c1c(-c2ccccc2O)ccc2c1C(C)=CC(C)(C)N2
InChIInChI=1S/C22H26N2O3/c1-14-13-22(2,3)24-17-10-9-16(15-7-5-6-8-18(15)25)20(19(14)17)21(26)23-11-12-27-4/h5-10,13,24-25H,11-12H2,1-4H3,(H,23,26)
InChIKeyBCRYANCKCDDNEQ-UHFFFAOYSA-N
XLogP4.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
3-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805657
[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
CID 18677391
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
CID 72966233
2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
CID 91319967
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 47465669
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide?
The IUPAC name of 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide (CID 58026748) is 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide.
What is the SMILES notation for 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide?
The canonical SMILES for 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide is COCCNC(=O)c1c(-c2ccccc2O)ccc2c1C(C)=CC(C)(C)N2.
What is the InChIKey of 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide?
The InChIKey is BCRYANCKCDDNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-13-22(2,3)24-17-10-9-16(15-7-5-6-8-18(15)25)20(19(14)17)21(26)23-11-12-27-4/h5-10,13,24-25H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide?
6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-N-(2-methoxyethyl)-2,2,4-trimethyl-1H-quinoline-5-carboxamide is sourced from PubChem (CID 58026748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).