[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone

C30H26N4O2 — CID 52693143

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)CC2)n1
InChIInChI=1S/C30H26N4O2/c1-20-31-29(36-33-20)24-15-17-34(18-16-24)30(35)26-19-28(32-27-10-6-5-9-25(26)27)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,19,24H,15-18H2,1H3
InChIKeyUQSNTGDPLOBPES-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.28
Rot. Bonds4

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone (PubChem CID 52693143) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone
PubChem CID52693143
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)CC2)n1
InChIInChI=1S/C30H26N4O2/c1-20-31-29(36-33-20)24-15-17-34(18-16-24)30(35)26-19-28(32-27-10-6-5-9-25(26)27)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,19,24H,15-18H2,1H3
InChIKeyUQSNTGDPLOBPES-UHFFFAOYSA-N
XLogP6.28
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone (CID 52693143) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone is Cc1noc(C2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone?
The InChIKey is UQSNTGDPLOBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-20-31-29(36-33-20)24-15-17-34(18-16-24)30(35)26-19-28(32-27-10-6-5-9-25(26)27)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,19,24H,15-18H2,1H3.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone has a molecular weight of 474.56 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 52693143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).