N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

C20H18N2O4 — CID 110331047

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18N2O4/c23-19(21-15-6-7-17-18(12-15)26-10-9-25-17)8-5-14-11-13-3-1-2-4-16(13)22-20(14)24/h1-4,6-7,11-12H,5,8-10H2,(H,21,23)(H,22,24)
InChIKeyZSCMHOVSIGCSRY-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.87
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331047) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331047
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18N2O4/c23-19(21-15-6-7-17-18(12-15)26-10-9-25-17)8-5-14-11-13-3-1-2-4-16(13)22-20(14)24/h1-4,6-7,11-12H,5,8-10H2,(H,21,23)(H,22,24)
InChIKeyZSCMHOVSIGCSRY-UHFFFAOYSA-N
XLogP2.87
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331279
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426
methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110354113
methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110331037
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676996
N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331375
3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
CID 110331396
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 110331047) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is ZSCMHOVSIGCSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(21-15-6-7-17-18(12-15)26-10-9-25-17)8-5-14-11-13-3-1-2-4-16(13)22-20(14)24/h1-4,6-7,11-12H,5,8-10H2,(H,21,23)(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 350.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 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-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).