4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

C26H29N3O3 — CID 11495718

IUPAC4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCCOc1ccc(C2Nc3ccc(C(=O)N(C)Cc4ccco4)cc3C3NCCC23)cc1
InChIInChI=1S/C26H29N3O3/c1-3-31-19-9-6-17(7-10-19)24-21-12-13-27-25(21)22-15-18(8-11-23(22)28-24)26(30)29(2)16-20-5-4-14-32-20/h4-11,14-15,21,24-25,27-28H,3,12-13,16H2,1-2H3
InChIKeyAWTBJJWKMLKFHS-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.77
Rot. Bonds6

About 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (PubChem CID 11495718) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
PubChem CID11495718
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCCOc1ccc(C2Nc3ccc(C(=O)N(C)Cc4ccco4)cc3C3NCCC23)cc1
InChIInChI=1S/C26H29N3O3/c1-3-31-19-9-6-17(7-10-19)24-21-12-13-27-25(21)22-15-18(8-11-23(22)28-24)26(30)29(2)16-20-5-4-14-32-20/h4-11,14-15,21,24-25,27-28H,3,12-13,16H2,1-2H3
InChIKeyAWTBJJWKMLKFHS-UHFFFAOYSA-N
XLogP4.77
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11659781
4-(4-ethoxyphenyl)-N,N-dipropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17242285
N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 11675548
6-ethoxy-N-(furan-2-ylmethyl)-N-methyl-2H-chromene-3-carboxamide
CID 53498513
(3aR,9bS)-N-(oxolan-2-ylmethyl)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 58919275
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
prop-2-enyl (4aS,10bS)-9-(diethylcarbamoyl)-5-(4-ethoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,6]naphthyridine-1-carboxylate
CID 58919437
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
5-(4-ethoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 43912690
(1S,2R,10R,11R,12S)-10-(4-ethoxyphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylic acid
CID 126000591
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (CID 11495718) is 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is CCOc1ccc(C2Nc3ccc(C(=O)N(C)Cc4ccco4)cc3C3NCCC23)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The InChIKey is AWTBJJWKMLKFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-31-19-9-6-17(7-10-19)24-21-12-13-27-25(21)22-15-18(8-11-23(22)28-24)26(30)29(2)16-20-5-4-14-32-20/h4-11,14-15,21,24-25,27-28H,3,12-13,16H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is sourced from PubChem (CID 11495718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).