N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide

C19H21N3O4 — CID 7687984

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2
InChIInChI=1S/C19H21N3O4/c1-12(2)20-17(23)18(24)21-14-8-7-13-5-3-9-22(15(13)11-14)19(25)16-6-4-10-26-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyWMIBSAIYDXCBOY-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide (PubChem CID 7687984) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
PubChem CID7687984
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2
InChIInChI=1S/C19H21N3O4/c1-12(2)20-17(23)18(24)21-14-8-7-13-5-3-9-22(15(13)11-14)19(25)16-6-4-10-26-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyWMIBSAIYDXCBOY-UHFFFAOYSA-N
XLogP2.34
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylbutanamide
CID 7517311
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-propan-2-yloxybenzamide
CID 7517282
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 7517345
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
4-ethoxy-N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517320
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
CID 7517340
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
CID 7517353
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-methyl-3-phenylbutanamide
CID 110303960
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
3-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623559
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-pyrrol-1-ylbenzamide
CID 110303963

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide (CID 7687984) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide?
The InChIKey is WMIBSAIYDXCBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)20-17(23)18(24)21-14-8-7-13-5-3-9-22(15(13)11-14)19(25)16-6-4-10-26-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide has a molecular weight of 355.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide is sourced from PubChem (CID 7687984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).