3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one

C29H26N2O3 — CID 25449184

IUPAC3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
SMILESCn1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(=O)c2ccccc21
InChIInChI=1S/C29H26N2O3/c1-30-17-24(28(33)23-8-2-3-10-25(23)30)29(34)31-15-5-7-20(16-31)27(32)22-14-13-19-12-11-18-6-4-9-21(22)26(18)19/h2-4,6,8-10,13-14,17,20H,5,7,11-12,15-16H2,1H3/t20-/m0/s1
InChIKeyYPWBQFKXJHRSRK-FQEVSTJZSA-N
MW450.54 g/mol
LogP4.53
Rot. Bonds3

About 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one

3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one (PubChem CID 25449184) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
PubChem CID25449184
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
SMILESCn1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(=O)c2ccccc21
InChIInChI=1S/C29H26N2O3/c1-30-17-24(28(33)23-8-2-3-10-25(23)30)29(34)31-15-5-7-20(16-31)27(32)22-14-13-19-12-11-18-6-4-9-21(22)26(18)19/h2-4,6,8-10,13-14,17,20H,5,7,11-12,15-16H2,1H3/t20-/m0/s1
InChIKeyYPWBQFKXJHRSRK-FQEVSTJZSA-N
XLogP4.53
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one with MolForge

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Related Compounds

4-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 45172907
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42507853
4-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 25448612
[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 42453776
1,2-dihydroacenaphthylen-5-yl-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]methanone
CID 45241536
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
CID 82646222
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
CID 30131761

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one?
The IUPAC name of 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one (CID 25449184) is 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one.
What is the SMILES notation for 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one?
The canonical SMILES for 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one is Cn1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(=O)c2ccccc21.
What is the InChIKey of 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one?
The InChIKey is YPWBQFKXJHRSRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-30-17-24(28(33)23-8-2-3-10-25(23)30)29(34)31-15-5-7-20(16-31)27(32)22-14-13-19-12-11-18-6-4-9-21(22)26(18)19/h2-4,6,8-10,13-14,17,20H,5,7,11-12,15-16H2,1H3/t20-/m0/s1.
What are the key properties of 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one?
3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one has a molecular weight of 450.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one is sourced from PubChem (CID 25449184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).