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

C19H27N3O2 — CID 16837305

IUPACN'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCN1CCCc2cc(CCNC(=O)C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C19H27N3O2/c1-22-12-4-5-15-13-14(8-9-17(15)22)10-11-20-18(23)19(24)21-16-6-2-3-7-16/h8-9,13,16H,2-7,10-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyYVOJSQSMRMSCAP-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.79
Rot. Bonds4

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

N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (PubChem CID 16837305) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
PubChem CID16837305
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCN1CCCc2cc(CCNC(=O)C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C19H27N3O2/c1-22-12-4-5-15-13-14(8-9-17(15)22)10-11-20-18(23)19(24)21-16-6-2-3-7-16/h8-9,13,16H,2-7,10-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyYVOJSQSMRMSCAP-UHFFFAOYSA-N
XLogP1.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.79
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-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837338
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 16837383
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379388
N'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342
N'-(2-chlorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837382
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
2-(4-chlorophenoxy)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
CID 16837028

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (CID 16837305) is N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is CN1CCCc2cc(CCNC(=O)C(=O)NC3CCCC3)ccc21.
What is the InChIKey of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is YVOJSQSMRMSCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22-12-4-5-15-13-14(8-9-17(15)22)10-11-20-18(23)19(24)21-16-6-2-3-7-16/h8-9,13,16H,2-7,10-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 329.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 16837305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).