2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C22H20N2O4 — CID 1028519

IUPAC2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C22H20N2O4/c25-22(23-12-15-4-3-9-26-15)17-11-19(24-18-6-2-1-5-16(17)18)14-7-8-20-21(10-14)28-13-27-20/h1-2,5-8,10-11,15H,3-4,9,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyDQNPPMKRQHPMNX-OAHLLOKOSA-N
MW376.41 g/mol
LogP3.54
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide

2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 1028519) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID1028519
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C22H20N2O4/c25-22(23-12-15-4-3-9-26-15)17-11-19(24-18-6-2-1-5-16(17)18)14-7-8-20-21(10-14)28-13-27-20/h1-2,5-8,10-11,15H,3-4,9,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyDQNPPMKRQHPMNX-OAHLLOKOSA-N
XLogP3.54
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 1345651
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
CID 2389461
2-(1,3-benzodioxol-5-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 4306900
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide
CID 46098215

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 1028519) is 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide is O=C(NC[C@H]1CCCO1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is DQNPPMKRQHPMNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-22(23-12-15-4-3-9-26-15)17-11-19(24-18-6-2-1-5-16(17)18)14-7-8-20-21(10-14)28-13-27-20/h1-2,5-8,10-11,15H,3-4,9,12-13H2,(H,23,25)/t15-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1028519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).