3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C22H18N4O2 — CID 126799433

IUPAC3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCn1ccc(NC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CC3)n1
InChIInChI=1S/C22H18N4O2/c1-26-11-10-19(25-26)24-22(27)20-16-6-2-3-7-18(16)23-21-14(8-9-17(20)21)13-15-5-4-12-28-15/h2-7,10-13H,8-9H2,1H3,(H,24,25,27)
InChIKeyYTBKSKVSJSENDW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.30
Rot. Bonds3

About 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 126799433) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID126799433
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCn1ccc(NC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CC3)n1
InChIInChI=1S/C22H18N4O2/c1-26-11-10-19(25-26)24-22(27)20-16-6-2-3-7-18(16)23-21-14(8-9-17(20)21)13-15-5-4-12-28-15/h2-7,10-13H,8-9H2,1H3,(H,24,25,27)
InChIKeyYTBKSKVSJSENDW-UHFFFAOYSA-N
XLogP4.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
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
(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 97433279
(2-ethoxy-2-oxoethyl) (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 27015346
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 55418898
[2-(N-methylanilino)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3459109
(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride
CID 119405323
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575531
[2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98560336
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575528
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3580671
(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
CID 98597111
[2-(methylamino)-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7959870

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 126799433) is 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is Cn1ccc(NC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CC3)n1.
What is the InChIKey of 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is YTBKSKVSJSENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-26-11-10-19(25-26)24-22(27)20-16-6-2-3-7-18(16)23-21-14(8-9-17(20)21)13-15-5-4-12-28-15/h2-7,10-13H,8-9H2,1H3,(H,24,25,27).
What are the key properties of 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylidene)-N-(1-methylpyrazol-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 126799433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).