N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide

C21H25N3O2 — CID 16837383

IUPACN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C21H25N3O2/c1-15-6-3-4-8-18(15)23-21(26)20(25)22-12-11-16-9-10-19-17(14-16)7-5-13-24(19)2/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYNRCOJWKYMHKBJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide

N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide (PubChem CID 16837383) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
PubChem CID16837383
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C21H25N3O2/c1-15-6-3-4-8-18(15)23-21(26)20(25)22-12-11-16-9-10-19-17(14-16)7-5-13-24(19)2/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYNRCOJWKYMHKBJ-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837382
N'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837338
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 16837538
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 40947892
N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 40947890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide (CID 16837383) is N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide?
The InChIKey is YNRCOJWKYMHKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-6-3-4-8-18(15)23-21(26)20(25)22-12-11-16-9-10-19-17(14-16)7-5-13-24(19)2/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide?
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide has a molecular weight of 351.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 16837383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).