N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C23H24N4O2 — CID 16561600

IUPACN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(Cc2ccco2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-17(2)27(14-19-9-6-12-29-19)23(20(16)13-24)25-22(28)15-26-11-5-8-18-7-3-4-10-21(18)26/h3-4,6-7,9-10,12H,5,8,11,14-15H2,1-2H3,(H,25,28)
InChIKeyJYJYXMBDPZAFEP-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.01
Rot. Bonds5

About N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 16561600) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID16561600
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(Cc2ccco2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-17(2)27(14-19-9-6-12-29-19)23(20(16)13-24)25-22(28)15-26-11-5-8-18-7-3-4-10-21(18)26/h3-4,6-7,9-10,12H,5,8,11,14-15H2,1-2H3,(H,25,28)
InChIKeyJYJYXMBDPZAFEP-UHFFFAOYSA-N
XLogP4.01
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 41236126
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 9432348
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8710516
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18267560
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 17434814
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 41227380
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132823
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 2-methoxyacetate
CID 7604527
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8519997
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8558525
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664754

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 16561600) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is Cc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(Cc2ccco2)c1C.
What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is JYJYXMBDPZAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-17(2)27(14-19-9-6-12-29-19)23(20(16)13-24)25-22(28)15-26-11-5-8-18-7-3-4-10-21(18)26/h3-4,6-7,9-10,12H,5,8,11,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 16561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).