(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C25H19N3O — CID 39954016

IUPAC(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccncc1)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2
InChIInChI=1S/C25H19N3O/c29-25(27-19-12-14-26-15-13-19)23-20-8-4-5-9-22(20)28-24-18(10-11-21(23)24)16-17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,26,27,29)/b18-16+
InChIKeyBEFVRFSRJLCDCK-FBMGVBCBSA-N
MW377.45 g/mol
LogP5.37
Rot. Bonds3

About (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 39954016) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID39954016
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccncc1)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2
InChIInChI=1S/C25H19N3O/c29-25(27-19-12-14-26-15-13-19)23-20-8-4-5-9-22(20)28-24-18(10-11-21(23)24)16-17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,26,27,29)/b18-16+
InChIKeyBEFVRFSRJLCDCK-FBMGVBCBSA-N
XLogP5.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-benzylidene-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55617082
(3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55552990
3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55961878
(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 166197072
(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 167951550
3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 103599408
[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56575832
(3E)-3-[(4-hydroxyphenyl)methylidene]-N-[2-(2-oxobut-3-enylcarbamoyl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 164909767
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 51109672
(3Z)-N-(1-hydroxypropan-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 78856882
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98409680
(3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55530318

Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 39954016) is (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is O=C(Nc1ccncc1)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2.
What is the InChIKey of (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is BEFVRFSRJLCDCK-FBMGVBCBSA-N. The full InChI is InChI=1S/C25H19N3O/c29-25(27-19-12-14-26-15-13-19)23-20-8-4-5-9-22(20)28-24-18(10-11-21(23)24)16-17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,26,27,29)/b18-16+.
What are the key properties of (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 39954016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).