N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C18H19ClN2O — CID 8686621

IUPACN-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H19ClN2O/c1-13-8-9-16(15(19)11-13)20-18(22)12-21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,20,22)
InChIKeyNNUMZNKOQGFGHC-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.04
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 8686621) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID8686621
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H19ClN2O/c1-13-8-9-16(15(19)11-13)20-18(22)12-21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,20,22)
InChIKeyNNUMZNKOQGFGHC-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686364
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide
CID 43823754
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 27131729
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
1-(3-chloro-4-methylphenyl)-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiourea
CID 8659432
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 8686621) is N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is NNUMZNKOQGFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13-8-9-16(15(19)11-13)20-18(22)12-21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 314.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 8686621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).