2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone

C31H28N2O4 — CID 16606397

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c2c1
InChIInChI=1S/C31H28N2O4/c1-20-7-9-26-24(17-20)25(19-27(32-26)21-5-3-2-4-6-21)31(35)33-13-11-22(12-14-33)30(34)23-8-10-28-29(18-23)37-16-15-36-28/h2-10,17-19,22H,11-16H2,1H3
InChIKeyNQPSBFJNEXLRBP-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.72
Rot. Bonds4

About 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 16606397) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone
PubChem CID16606397
Molecular FormulaC31H28N2O4
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c2c1
InChIInChI=1S/C31H28N2O4/c1-20-7-9-26-24(17-20)25(19-27(32-26)21-5-3-2-4-6-21)31(35)33-13-11-22(12-14-33)30(34)23-8-10-28-29(18-23)37-16-15-36-28/h2-10,17-19,22H,11-16H2,1H3
InChIKeyNQPSBFJNEXLRBP-UHFFFAOYSA-N
XLogP5.72
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 16613531
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 43815944
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 33184078
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33369256
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 16622883
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 55956264
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33368421

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone (CID 16606397) is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone is Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c2c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is NQPSBFJNEXLRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-20-7-9-26-24(17-20)25(19-27(32-26)21-5-3-2-4-6-21)31(35)33-13-11-22(12-14-33)30(34)23-8-10-28-29(18-23)37-16-15-36-28/h2-10,17-19,22H,11-16H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 492.58 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 16606397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).