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

C27H33N3O4 — CID 139356293

IUPAC4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(c1)c(CCN1CCC(NCc3ccc4c(c3)OCCO4)CC1)cc(=O)n2C
InChIInChI=1S/C27H33N3O4/c1-29-24-5-4-22(32-2)17-23(24)20(16-27(29)31)7-10-30-11-8-21(9-12-30)28-18-19-3-6-25-26(15-19)34-14-13-33-25/h3-6,15-17,21,28H,7-14,18H2,1-2H3
InChIKeyZFKCZHJBKUXVFZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.12
Rot. Bonds7

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

4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one (PubChem CID 139356293) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one
PubChem CID139356293
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(c1)c(CCN1CCC(NCc3ccc4c(c3)OCCO4)CC1)cc(=O)n2C
InChIInChI=1S/C27H33N3O4/c1-29-24-5-4-22(32-2)17-23(24)20(16-27(29)31)7-10-30-11-8-21(9-12-30)28-18-19-3-6-25-26(15-19)34-14-13-33-25/h3-6,15-17,21,28H,7-14,18H2,1-2H3
InChIKeyZFKCZHJBKUXVFZ-UHFFFAOYSA-N
XLogP3.12
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442
(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
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxyquinoline-3-carbonitrile;hydrochloride
CID 44529095
1-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]methyl]-7-methoxy-4-phenylquinolin-2-one
CID 143375742
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]-4-methylquinolin-2-one
CID 59397839
ethyl (Z)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-5-yl]prop-2-enoate
CID 59398096
1-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]methyl]-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one
CID 143375701
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride
CID 67539009
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
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one
CID 59398053

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one?
The IUPAC name of 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one (CID 139356293) is 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one is COc1ccc2c(c1)c(CCN1CCC(NCc3ccc4c(c3)OCCO4)CC1)cc(=O)n2C.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one?
The InChIKey is ZFKCZHJBKUXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-29-24-5-4-22(32-2)17-23(24)20(16-27(29)31)7-10-30-11-8-21(9-12-30)28-18-19-3-6-25-26(15-19)34-14-13-33-25/h3-6,15-17,21,28H,7-14,18H2,1-2H3.
What are the key properties of 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one?
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one has a molecular weight of 463.58 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 139356293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).