2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide

C19H17ClN2O2 — CID 86286582

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
SMILESCN(Cc1ccc2ncccc2c1)C(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C19H17ClN2O2/c1-22(19(24)11-13-5-7-18(23)16(20)10-13)12-14-4-6-17-15(9-14)3-2-8-21-17/h2-10,23H,11-12H2,1H3
InChIKeyJOFDILMIBPZZPO-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide

2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide (PubChem CID 86286582) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
PubChem CID86286582
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
SMILESCN(Cc1ccc2ncccc2c1)C(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C19H17ClN2O2/c1-22(19(24)11-13-5-7-18(23)16(20)10-13)12-14-4-6-17-15(9-14)3-2-8-21-17/h2-10,23H,11-12H2,1H3
InChIKeyJOFDILMIBPZZPO-UHFFFAOYSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199859
(5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199858
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635136

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide (CID 86286582) is 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide is CN(Cc1ccc2ncccc2c1)C(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide?
The InChIKey is JOFDILMIBPZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-22(19(24)11-13-5-7-18(23)16(20)10-13)12-14-4-6-17-15(9-14)3-2-8-21-17/h2-10,23H,11-12H2,1H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide is sourced from PubChem (CID 86286582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).