N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide

C21H21N5O2S — CID 167830583

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide
SMILESCN1CCCc2cc(CNC(=O)C(=O)Nc3cc(-c4ccccn4)ns3)ccc21
InChIInChI=1S/C21H21N5O2S/c1-26-10-4-5-15-11-14(7-8-18(15)26)13-23-20(27)21(28)24-19-12-17(25-29-19)16-6-2-3-9-22-16/h2-3,6-9,11-12H,4-5,10,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyNEOJACVPLNXVMY-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.84
Rot. Bonds4

About N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide (PubChem CID 167830583) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide
PubChem CID167830583
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide
SMILESCN1CCCc2cc(CNC(=O)C(=O)Nc3cc(-c4ccccn4)ns3)ccc21
InChIInChI=1S/C21H21N5O2S/c1-26-10-4-5-15-11-14(7-8-18(15)26)13-23-20(27)21(28)24-19-12-17(25-29-19)16-6-2-3-9-22-16/h2-3,6-9,11-12H,4-5,10,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyNEOJACVPLNXVMY-UHFFFAOYSA-N
XLogP2.84
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
CID 71881904
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 16837383
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
N'-(2-chlorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837382
N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide
CID 166231717
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51100138
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide (CID 167830583) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide is CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(-c4ccccn4)ns3)ccc21.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide?
The InChIKey is NEOJACVPLNXVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-26-10-4-5-15-11-14(7-8-18(15)26)13-23-20(27)21(28)24-19-12-17(25-29-19)16-6-2-3-9-22-16/h2-3,6-9,11-12H,4-5,10,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide has a molecular weight of 407.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide is sourced from PubChem (CID 167830583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).