N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide

C22H22N2O4 — CID 97027878

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide
SMILESCCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H22N2O4/c1-2-11-24(13-15-14-27-19-9-5-6-10-20(19)28-15)22(26)17-12-21(25)23-18-8-4-3-7-16(17)18/h3-10,12,15H,2,11,13-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyHMVASXIITWAYQQ-HNNXBMFYSA-N
MW378.43 g/mol
LogP3.22
Rot. Bonds5

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide (PubChem CID 97027878) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide
PubChem CID97027878
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide
SMILESCCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H22N2O4/c1-2-11-24(13-15-14-27-19-9-5-6-10-20(19)28-15)22(26)17-12-21(25)23-18-8-4-3-7-16(17)18/h3-10,12,15H,2,11,13-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyHMVASXIITWAYQQ-HNNXBMFYSA-N
XLogP3.22
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide;hydrochloride
CID 119268330
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 112793607
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propylpyridine-2-carboxamide
CID 94332608
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpropanamide;hydrochloride
CID 119268328
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 47004602
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-hydroxybenzamide
CID 112791959
(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide
CID 97098697
2-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide
CID 112793656
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119684038
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propyloxolane-2-carboxamide
CID 120783912
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 95704830

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide (CID 97027878) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide is CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide?
The InChIKey is HMVASXIITWAYQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-11-24(13-15-14-27-19-9-5-6-10-20(19)28-15)22(26)17-12-21(25)23-18-8-4-3-7-16(17)18/h3-10,12,15H,2,11,13-14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propyl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97027878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).