N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide

C23H22N2O3 — CID 18190249

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C23H22N2O3/c26-23(20-11-10-17-5-1-4-8-19(17)24-20)25(18-6-2-3-7-18)14-16-9-12-21-22(13-16)28-15-27-21/h1,4-5,8-13,18H,2-3,6-7,14-15H2
InChIKeyRICIJJWPFIZALY-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.55
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide (PubChem CID 18190249) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
PubChem CID18190249
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C23H22N2O3/c26-23(20-11-10-17-5-1-4-8-19(17)24-20)25(18-6-2-3-7-18)14-16-9-12-21-22(13-16)28-15-27-21/h1,4-5,8-13,18H,2-3,6-7,14-15H2
InChIKeyRICIJJWPFIZALY-UHFFFAOYSA-N
XLogP4.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-phenyltriazole-4-carboxamide
CID 39095509
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]quinoline-2-carboxamide
CID 42796893
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630863
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
CID 102872000
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190284

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide (CID 18190249) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide is O=C(c1ccc2ccccc2n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide?
The InChIKey is RICIJJWPFIZALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(20-11-10-17-5-1-4-8-19(17)24-20)25(18-6-2-3-7-18)14-16-9-12-21-22(13-16)28-15-27-21/h1,4-5,8-13,18H,2-3,6-7,14-15H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide is sourced from PubChem (CID 18190249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).