2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide

C22H22N4O2 — CID 19955850

IUPAC2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
SMILESNC(N)=NC(=O)c1cc(-c2ccccc2OC2CCCC2)nc2ccccc12
InChIInChI=1S/C22H22N4O2/c23-22(24)26-21(27)17-13-19(25-18-11-5-3-9-15(17)18)16-10-4-6-12-20(16)28-14-7-1-2-8-14/h3-6,9-14H,1-2,7-8H2,(H4,23,24,26,27)
InChIKeyGALVODVOSFLQEE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide

2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide (PubChem CID 19955850) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
PubChem CID19955850
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
SMILESNC(N)=NC(=O)c1cc(-c2ccccc2OC2CCCC2)nc2ccccc12
InChIInChI=1S/C22H22N4O2/c23-22(24)26-21(27)17-13-19(25-18-11-5-3-9-15(17)18)16-10-4-6-12-20(16)28-14-7-1-2-8-14/h3-6,9-14H,1-2,7-8H2,(H4,23,24,26,27)
InChIKeyGALVODVOSFLQEE-UHFFFAOYSA-N
XLogP3.64
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955732
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 19955910
2-(2-butan-2-ylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955934
2-(2-chlorophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide;methanesulfonic acid
CID 23204031
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905
N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide
CID 19955955
2-(2-aminophenyl)quinoline-4-carboxylic acid
CID 131879149
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
N-(diaminomethylidene)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide;methanesulfonic acid
CID 23204013
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N-(diaminomethylidene)-2-[3-(3,3-dimethylbutan-2-yl)phenyl]quinoline-4-carboxamide
CID 19955997
N-(diaminomethylidene)-2-[3-(ethoxymethoxy)phenyl]quinoline-4-carboxamide
CID 19955653

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
The IUPAC name of 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide (CID 19955850) is 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide is NC(N)=NC(=O)c1cc(-c2ccccc2OC2CCCC2)nc2ccccc12.
What is the InChIKey of 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
The InChIKey is GALVODVOSFLQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-22(24)26-21(27)17-13-19(25-18-11-5-3-9-15(17)18)16-10-4-6-12-20(16)28-14-7-1-2-8-14/h3-6,9-14H,1-2,7-8H2,(H4,23,24,26,27).
What are the key properties of 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide is sourced from PubChem (CID 19955850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).