N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C19H21ClN2O — CID 8686364

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13-10-14(2)19(16(20)11-13)21-18(23)12-22-9-5-7-15-6-3-4-8-17(15)22/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3,(H,21,23)
InChIKeyVYMFELBDZNINSV-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.35
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 8686364) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID8686364
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13-10-14(2)19(16(20)11-13)21-18(23)12-22-9-5-7-15-6-3-4-8-17(15)22/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3,(H,21,23)
InChIKeyVYMFELBDZNINSV-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 8686364) is N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is Cc1cc(C)c(NC(=O)CN2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is VYMFELBDZNINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-10-14(2)19(16(20)11-13)21-18(23)12-22-9-5-7-15-6-3-4-8-17(15)22/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 328.84 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 8686364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).