1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone

C17H16ClNO3 — CID 4300623

IUPAC1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone
SMILESCC(=O)N1c2ccc(Cl)cc2C2OCCC2C1c1ccco1
InChIInChI=1S/C17H16ClNO3/c1-10(20)19-14-5-4-11(18)9-13(14)17-12(6-8-22-17)16(19)15-3-2-7-21-15/h2-5,7,9,12,16-17H,6,8H2,1H3
InChIKeyNMSSETOEIBVUBW-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.12
Rot. Bonds1

About 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone

1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone (PubChem CID 4300623) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone.

Molecular Properties

Compound Name1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone
PubChem CID4300623
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone
SMILESCC(=O)N1c2ccc(Cl)cc2C2OCCC2C1c1ccco1
InChIInChI=1S/C17H16ClNO3/c1-10(20)19-14-5-4-11(18)9-13(14)17-12(6-8-22-17)16(19)15-3-2-7-21-15/h2-5,7,9,12,16-17H,6,8H2,1H3
InChIKeyNMSSETOEIBVUBW-UHFFFAOYSA-N
XLogP4.12
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone 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

8-Chloro-4-furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 648369
4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 3154540
4-Furan-2-yl-8-methoxy-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 2942910
8-Fluoro-4-(2-furyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 664607
(3aS,4S,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 1085710
6-Chloro-3-[3-(dimethylamino)propyl]-4-(furan-2-yl)-1,4-dihydroquinazolin-2-one
CID 44343882
4-Furan-2-yl-8-methyl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 2943614
(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712865
(9R,11S)-5-chloro-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712866
8-Fluoro-4-furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 3154541
(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 6544291
5-Chloro-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 123199415

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone?
The IUPAC name of 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone (CID 4300623) is 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone.
What is the SMILES notation for 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone?
The canonical SMILES for 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone is CC(=O)N1c2ccc(Cl)cc2C2OCCC2C1c1ccco1.
What is the InChIKey of 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone?
The InChIKey is NMSSETOEIBVUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10(20)19-14-5-4-11(18)9-13(14)17-12(6-8-22-17)16(19)15-3-2-7-21-15/h2-5,7,9,12,16-17H,6,8H2,1H3.
What are the key properties of 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone?
1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone has a molecular weight of 317.77 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-4-(furan-2-yl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl]ethanone is sourced from PubChem (CID 4300623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).