N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide

C20H19N3O3 — CID 39764289

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1oc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)c(C#N)c1C
InChIInChI=1S/C20H19N3O3/c1-12-10-19(25)23(17-7-5-4-6-15(12)17)9-8-18(24)22-20-16(11-21)13(2)14(3)26-20/h4-7,10H,8-9H2,1-3H3,(H,22,24)
InChIKeyCINVMYVZOFXJJX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.42
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 39764289) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID39764289
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1oc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)c(C#N)c1C
InChIInChI=1S/C20H19N3O3/c1-12-10-19(25)23(17-7-5-4-6-15(12)17)9-8-18(24)22-20-16(11-21)13(2)14(3)26-20/h4-7,10H,8-9H2,1-3H3,(H,22,24)
InChIKeyCINVMYVZOFXJJX-UHFFFAOYSA-N
XLogP3.42
TPSA88.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
N-(3-cyano-4,5-dimethylfuran-2-yl)-11-(1,3-dioxoisoindol-2-yl)undecanamide
CID 108762791
N-(2,5-dichlorophenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763973
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9458317
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46969091
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide (CID 39764289) is N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide is Cc1oc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is CINVMYVZOFXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-10-19(25)23(17-7-5-4-6-15(12)17)9-8-18(24)22-20-16(11-21)13(2)14(3)26-20/h4-7,10H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 39764289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).