3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one

C19H18N2O4 — CID 856569

IUPAC3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c1
InChIInChI=1S/C19H18N2O4/c1-23-15-3-4-16-12(9-15)8-13(19(22)21-16)11-20-14-2-5-17-18(10-14)25-7-6-24-17/h2-5,8-10,20H,6-7,11H2,1H3,(H,21,22)
InChIKeyIZHUMFOCHVANLO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.92
Rot. Bonds4

About 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one

3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 856569) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID856569
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c1
InChIInChI=1S/C19H18N2O4/c1-23-15-3-4-16-12(9-15)8-13(19(22)21-16)11-20-14-2-5-17-18(10-14)25-7-6-24-17/h2-5,8-10,20H,6-7,11H2,1H3,(H,21,22)
InChIKeyIZHUMFOCHVANLO-UHFFFAOYSA-N
XLogP2.92
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23857776
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
3-[(1,3-benzodioxol-5-ylamino)methyl]-6-propyl-1H-quinolin-2-one
CID 95855587
8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 46958621
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164989

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one (CID 856569) is 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c1.
What is the InChIKey of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is IZHUMFOCHVANLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-3-4-16-12(9-15)8-13(19(22)21-16)11-20-14-2-5-17-18(10-14)25-7-6-24-17/h2-5,8-10,20H,6-7,11H2,1H3,(H,21,22).
What are the key properties of 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one?
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 338.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 856569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).