1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride

C26H32ClN3O4 — CID 67539009

IUPAC1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride
SMILESCOc1cccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c12.Cl
InChIInChI=1S/C26H31N3O4.ClH/c1-31-23-4-2-3-20-6-8-25(30)29(26(20)23)14-13-28-11-9-21(10-12-28)27-18-19-5-7-22-24(17-19)33-16-15-32-22;/h2-8,17,21,27H,9-16,18H2,1H3;1H
InChIKeyPTEFMRQJXPVCHO-UHFFFAOYSA-N
MW486.01 g/mol
LogP3.46
Rot. Bonds7

About 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride (PubChem CID 67539009) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride
PubChem CID67539009
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride
SMILESCOc1cccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c12.Cl
InChIInChI=1S/C26H31N3O4.ClH/c1-31-23-4-2-3-20-6-8-25(30)29(26(20)23)14-13-28-11-9-21(10-12-28)27-18-19-5-7-22-24(17-19)33-16-15-32-22;/h2-8,17,21,27H,9-16,18H2,1H3;1H
InChIKeyPTEFMRQJXPVCHO-UHFFFAOYSA-N
XLogP3.46
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;hydrochloride
CID 67539574
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one
CID 59398053
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
methyl N-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]carbamate
CID 59398005
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]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
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]-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
4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
CID 59398359
(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]-8-methoxyquinolin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride (CID 67539009) is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride is COc1cccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c12.Cl.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride?
The InChIKey is PTEFMRQJXPVCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4.ClH/c1-31-23-4-2-3-20-6-8-25(30)29(26(20)23)14-13-28-11-9-21(10-12-28)27-18-19-5-7-22-24(17-19)33-16-15-32-22;/h2-8,17,21,27H,9-16,18H2,1H3;1H.
What are the key properties of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride?
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride has a molecular weight of 486.01 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-8-methoxyquinolin-2-one;hydrochloride is sourced from PubChem (CID 67539009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).