2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide

C21H21N3O2 — CID 9214481

IUPAC2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide
SMILESC[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H21N3O2/c1-14-7-2-4-9-17(14)23-24-21(25)16-13-19(20-11-6-12-26-20)22-18-10-5-3-8-15(16)18/h3,5-6,8,10-14H,2,4,7,9H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeySLUKODBHEFGGCP-AWEZNQCLSA-N
MW347.42 g/mol
LogP4.79
Rot. Bonds3

About 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide

2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide (PubChem CID 9214481) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide
PubChem CID9214481
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide
SMILESC[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H21N3O2/c1-14-7-2-4-9-17(14)23-24-21(25)16-13-19(20-11-6-12-26-20)22-18-10-5-3-8-15(16)18/h3,5-6,8,10-14H,2,4,7,9H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeySLUKODBHEFGGCP-AWEZNQCLSA-N
XLogP4.79
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
1-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8742136
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616
2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395376
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide (CID 9214481) is 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide is C[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide?
The InChIKey is SLUKODBHEFGGCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-7-2-4-9-17(14)23-24-21(25)16-13-19(20-11-6-12-26-20)22-18-10-5-3-8-15(16)18/h3,5-6,8,10-14H,2,4,7,9H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide is sourced from PubChem (CID 9214481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).