4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C23H23N3O3 — CID 54842857

IUPAC4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C23H23N3O3/c27-22(26-13-3-6-17-5-1-2-8-21(17)26)16-24-19-11-9-18(10-12-19)23(28)25-15-20-7-4-14-29-20/h1-2,4-5,7-12,14,24H,3,6,13,15-16H2,(H,25,28)
InChIKeyMBTUSKMWNDKNOF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.60
Rot. Bonds6

About 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54842857) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54842857
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C23H23N3O3/c27-22(26-13-3-6-17-5-1-2-8-21(17)26)16-24-19-11-9-18(10-12-19)23(28)25-15-20-7-4-14-29-20/h1-2,4-5,7-12,14,24H,3,6,13,15-16H2,(H,25,28)
InChIKeyMBTUSKMWNDKNOF-UHFFFAOYSA-N
XLogP3.60
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 53125865

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54842857) is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is MBTUSKMWNDKNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(26-13-3-6-17-5-1-2-8-21(17)26)16-24-19-11-9-18(10-12-19)23(28)25-15-20-7-4-14-29-20/h1-2,4-5,7-12,14,24H,3,6,13,15-16H2,(H,25,28).
What are the key properties of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54842857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).