1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one

C26H31N3O3 — CID 59397839

IUPAC1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2ccccc12
InChIInChI=1S/C26H31N3O3/c1-19-16-26(30)29(23-5-3-2-4-22(19)23)13-12-28-10-8-21(9-11-28)27-18-20-6-7-24-25(17-20)32-15-14-31-24/h2-7,16-17,21,27H,8-15,18H2,1H3
InChIKeyOLWDCOVQTCMUGX-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one (PubChem CID 59397839) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
PubChem CID59397839
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2ccccc12
InChIInChI=1S/C26H31N3O3/c1-19-16-26(30)29(23-5-3-2-4-22(19)23)13-12-28-10-8-21(9-11-28)27-18-20-6-7-24-25(17-20)32-15-14-31-24/h2-7,16-17,21,27H,8-15,18H2,1H3
InChIKeyOLWDCOVQTCMUGX-UHFFFAOYSA-N
XLogP3.34
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one with MolForge

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Related Compounds

4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
CID 59398359
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
CID 59398270
methyl N-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]carbamate
CID 59398005
methyl N-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]carbamate;hydrochloride
CID 67538034
ethyl 2-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]oxyacetate;hydrochloride
CID 86643186
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one
CID 59398053
2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(4-methyl-2-oxo-7-phenylquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 67538950
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one;hydrochloride
CID 67539574
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-5-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-7-methylquinolin-2-one
CID 88867125
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
(E)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-4-yl]prop-2-enal
CID 88867620

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one?
The IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one (CID 59397839) is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one is Cc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2ccccc12.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one?
The InChIKey is OLWDCOVQTCMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19-16-26(30)29(23-5-3-2-4-22(19)23)13-12-28-10-8-21(9-11-28)27-18-20-6-7-24-25(17-20)32-15-14-31-24/h2-7,16-17,21,27H,8-15,18H2,1H3.
What are the key properties of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one?
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one has a molecular weight of 433.55 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one is sourced from PubChem (CID 59397839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).