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

C26H26N4O2 — CID 103599408

IUPAC3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESNC(=O)N1CCC(NC(=O)c2c3c(nc4ccccc24)C(=Cc2ccccc2)CC3)CC1
InChIInChI=1S/C26H26N4O2/c27-26(32)30-14-12-19(13-15-30)28-25(31)23-20-8-4-5-9-22(20)29-24-18(10-11-21(23)24)16-17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H2,27,32)(H,28,31)
InChIKeyLHIOKQOFOKAPBK-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.99
Rot. Bonds3

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

3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 103599408) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID103599408
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESNC(=O)N1CCC(NC(=O)c2c3c(nc4ccccc24)C(=Cc2ccccc2)CC3)CC1
InChIInChI=1S/C26H26N4O2/c27-26(32)30-14-12-19(13-15-30)28-25(31)23-20-8-4-5-9-22(20)29-24-18(10-11-21(23)24)16-17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H2,27,32)(H,28,31)
InChIKeyLHIOKQOFOKAPBK-UHFFFAOYSA-N
XLogP3.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-[(4-methoxyphenyl)methylidene]-N-(1-oxothiolan-3-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 132965701
(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 39954016
1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808180
1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
CID 166223358
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6524520
N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 76859122
(3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55552990
(3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55530318
4-(4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl)-1,4-diazepane-1-carboxamide
CID 72687319
(3Z)-N-(1-hydroxypropan-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 78856882
3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 8863644

Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 103599408) is 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is NC(=O)N1CCC(NC(=O)c2c3c(nc4ccccc24)C(=Cc2ccccc2)CC3)CC1.
What is the InChIKey of 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is LHIOKQOFOKAPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c27-26(32)30-14-12-19(13-15-30)28-25(31)23-20-8-4-5-9-22(20)29-24-18(10-11-21(23)24)16-17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H2,27,32)(H,28,31).
What are the key properties of 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 103599408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).