2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide

C22H23N3O3 — CID 39515438

IUPAC2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H23N3O3/c26-21-10-2-1-5-12-25(21)13-11-23-22(27)17-15-19(20-9-6-14-28-20)24-18-8-4-3-7-16(17)18/h3-4,6-9,14-15H,1-2,5,10-13H2,(H,23,27)
InChIKeySSYVOWLXRHDTTF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.63
Rot. Bonds5

About 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide

2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide (PubChem CID 39515438) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
PubChem CID39515438
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H23N3O3/c26-21-10-2-1-5-12-25(21)13-11-23-22(27)17-15-19(20-9-6-14-28-20)24-18-8-4-3-7-16(17)18/h3-4,6-9,14-15H,1-2,5,10-13H2,(H,23,27)
InChIKeySSYVOWLXRHDTTF-UHFFFAOYSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 39004028
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 39514484
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 71896095
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide (CID 39515438) is 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide is O=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is SSYVOWLXRHDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21-10-2-1-5-12-25(21)13-11-23-22(27)17-15-19(20-9-6-14-28-20)24-18-8-4-3-7-16(17)18/h3-4,6-9,14-15H,1-2,5,10-13H2,(H,23,27).
What are the key properties of 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 39515438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).