N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C23H26N2O4 — CID 25473622

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CC[C@@H]1Cc2ccccc2NC1=O
InChIInChI=1S/C23H26N2O4/c1-2-25(15-16-7-9-20-21(13-16)29-12-11-28-20)22(26)10-8-18-14-17-5-3-4-6-19(17)24-23(18)27/h3-7,9,13,18H,2,8,10-12,14-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyVLQWVLNVPMHVAV-GOSISDBHSA-N
MW394.47 g/mol
LogP3.40
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 25473622) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID25473622
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CC[C@@H]1Cc2ccccc2NC1=O
InChIInChI=1S/C23H26N2O4/c1-2-25(15-16-7-9-20-21(13-16)29-12-11-28-20)22(26)10-8-18-14-17-5-3-4-6-19(17)24-23(18)27/h3-7,9,13,18H,2,8,10-12,14-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyVLQWVLNVPMHVAV-GOSISDBHSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540
1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 31038351
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55592669
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 18162223
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615604
N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 43042321
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142585
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142208
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119653931
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 25473622) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)CC[C@@H]1Cc2ccccc2NC1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is VLQWVLNVPMHVAV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-25(15-16-7-9-20-21(13-16)29-12-11-28-20)22(26)10-8-18-14-17-5-3-4-6-19(17)24-23(18)27/h3-7,9,13,18H,2,8,10-12,14-15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 394.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 25473622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).