(3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C28H30N2O3 — CID 112819303

IUPAC(3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)C2CCCC2)cc1OC
InChIInChI=1S/C28H30N2O3/c1-30(20-8-4-5-9-20)28(31)26-21-10-6-7-11-23(21)29-27-19(13-14-22(26)27)16-18-12-15-24(32-2)25(17-18)33-3/h6-7,10-12,15-17,20H,4-5,8-9,13-14H2,1-3H3/b19-16-
InChIKeyKRKWTAHAFQVPLM-MNDPQUGUSA-N
MW442.56 g/mol
LogP5.75
Rot. Bonds5

About (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 112819303) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID112819303
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name(3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)C2CCCC2)cc1OC
InChIInChI=1S/C28H30N2O3/c1-30(20-8-4-5-9-20)28(31)26-21-10-6-7-11-23(21)29-27-19(13-14-22(26)27)16-18-12-15-24(32-2)25(17-18)33-3/h6-7,10-12,15-17,20H,4-5,8-9,13-14H2,1-3H3/b19-16-
InChIKeyKRKWTAHAFQVPLM-MNDPQUGUSA-N
XLogP5.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 119550508
(2-oxo-2-piperidin-1-ylethyl) (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6520004
[2-(cyclopropylamino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6018077
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 41165831
cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6535732
2-(4-methylphenoxy)ethyl 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3367571
(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946364
4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3958469
(2-morpholin-4-yl-2-oxoethyl) (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 16533363
(4E)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946361
(3E)-3-[[3-methoxy-4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 6529094
(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946339

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 112819303) is (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)C2CCCC2)cc1OC.
What is the InChIKey of (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is KRKWTAHAFQVPLM-MNDPQUGUSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-30(20-8-4-5-9-20)28(31)26-21-10-6-7-11-23(21)29-27-19(13-14-22(26)27)16-18-12-15-24(32-2)25(17-18)33-3/h6-7,10-12,15-17,20H,4-5,8-9,13-14H2,1-3H3/b19-16-.
What are the key properties of (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
(3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-cyclopentyl-3-[(3,4-dimethoxyphenyl)methylidene]-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 112819303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).