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

C25H30N4O3 — CID 59398359

IUPAC4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
SMILESNc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2ccccc12
InChIInChI=1S/C25H30N4O3/c26-21-16-25(30)29(22-4-2-1-3-20(21)22)12-11-28-9-7-19(8-10-28)27-17-18-5-6-23-24(15-18)32-14-13-31-23/h1-6,15-16,19,27H,7-14,17,26H2
InChIKeyNPDQKTGTBCURBP-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.61
Rot. Bonds6

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

4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one (PubChem CID 59398359) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
PubChem CID59398359
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
SMILESNc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2ccccc12
InChIInChI=1S/C25H30N4O3/c26-21-16-25(30)29(22-4-2-1-3-20(21)22)12-11-28-9-7-19(8-10-28)27-17-18-5-6-23-24(15-18)32-14-13-31-23/h1-6,15-16,19,27H,7-14,17,26H2
InChIKeyNPDQKTGTBCURBP-UHFFFAOYSA-N
XLogP2.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
CID 59397839
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
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442
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]-1,8-naphthyridin-2-one
CID 24866869
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one
CID 59398053
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-chloro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamic acid
CID 67540494
(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
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one (CID 59398359) is 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one is Nc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2ccccc12.
What is the InChIKey of 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one?
The InChIKey is NPDQKTGTBCURBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c26-21-16-25(30)29(22-4-2-1-3-20(21)22)12-11-28-9-7-19(8-10-28)27-17-18-5-6-23-24(15-18)32-14-13-31-23/h1-6,15-16,19,27H,7-14,17,26H2.
What are the key properties of 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one?
4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 59398359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).