3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide

C21H20N2O3S — CID 110303754

IUPAC3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
SMILESO=C(CCc1ccco1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C21H20N2O3S/c24-20(10-8-17-5-2-12-26-17)22-16-7-9-18-15(14-16)4-1-11-23(18)21(25)19-6-3-13-27-19/h2-3,5-7,9,12-14H,1,4,8,10-11H2,(H,22,24)
InChIKeyXIOKVUYULCTZID-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.51
Rot. Bonds5

About 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide

3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide (PubChem CID 110303754) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
PubChem CID110303754
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
SMILESO=C(CCc1ccco1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C21H20N2O3S/c24-20(10-8-17-5-2-12-26-17)22-16-7-9-18-15(14-16)4-1-11-23(18)21(25)19-6-3-13-27-19/h2-3,5-7,9,12-14H,1,4,8,10-11H2,(H,22,24)
InChIKeyXIOKVUYULCTZID-UHFFFAOYSA-N
XLogP4.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
[2-oxo-2-[[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]amino]ethyl] 2,2-dimethylpropanoate
CID 7498699
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997
2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27444602
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-ene-1-sulfonamide
CID 7498895
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71787892
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90534609
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 30017533

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide (CID 110303754) is 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide is O=C(CCc1ccco1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide?
The InChIKey is XIOKVUYULCTZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-20(10-8-17-5-2-12-26-17)22-16-7-9-18-15(14-16)4-1-11-23(18)21(25)19-6-3-13-27-19/h2-3,5-7,9,12-14H,1,4,8,10-11H2,(H,22,24).
What are the key properties of 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide?
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide is sourced from PubChem (CID 110303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).