(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C25H21N3O4 — CID 97433279

IUPAC(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESO=C(CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)NCc1ccco1
InChIInChI=1S/C25H21N3O4/c29-22(26-14-18-6-4-12-32-18)15-27-25(30)23-19-7-1-2-8-21(19)28-24-16(9-10-20(23)24)13-17-5-3-11-31-17/h1-8,11-13H,9-10,14-15H2,(H,26,29)(H,27,30)/b16-13+
InChIKeyAYUKINRCAXOJTK-DTQAZKPQSA-N
MW427.46 g/mol
LogP3.95
Rot. Bonds6

About (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 97433279) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID97433279
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESO=C(CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)NCc1ccco1
InChIInChI=1S/C25H21N3O4/c29-22(26-14-18-6-4-12-32-18)15-27-25(30)23-19-7-1-2-8-21(19)28-24-16(9-10-20(23)24)13-17-5-3-11-31-17/h1-8,11-13H,9-10,14-15H2,(H,26,29)(H,27,30)/b16-13+
InChIKeyAYUKINRCAXOJTK-DTQAZKPQSA-N
XLogP3.95
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3E)-3-(furan-2-ylmethylidene)-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 95568888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4857742
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575531
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575528
(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride
CID 119405323
3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 126799433
[2-(N-methylanilino)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3459109
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6184108
[2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98560336
(3Z)-3-[(2-chlorophenyl)methylidene]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 93233617
(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
CID 98597111
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 4022539

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 97433279) is (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is O=C(CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)NCc1ccco1.
What is the InChIKey of (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is AYUKINRCAXOJTK-DTQAZKPQSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-22(26-14-18-6-4-12-32-18)15-27-25(30)23-19-7-1-2-8-21(19)28-24-16(9-10-20(23)24)13-17-5-3-11-31-17/h1-8,11-13H,9-10,14-15H2,(H,26,29)(H,27,30)/b16-13+.
What are the key properties of (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 97433279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).