3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone

C23H26N2O2 — CID 113006321

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C23H26N2O2/c1-17-6-4-8-20(16-17)22(26)24-14-11-19(12-15-24)23(27)25-13-5-9-18-7-2-3-10-21(18)25/h2-4,6-8,10,16,19H,5,9,11-15H2,1H3
InChIKeyCCNTTZZGFHCHQE-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.83
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 113006321) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID113006321
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C23H26N2O2/c1-17-6-4-8-20(16-17)22(26)24-14-11-19(12-15-24)23(27)25-13-5-9-18-7-2-3-10-21(18)25/h2-4,6-8,10,16,19H,5,9,11-15H2,1H3
InChIKeyCCNTTZZGFHCHQE-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 25398992
[1-(4-fluorobenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78776232
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55758048
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 118602693
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 166197260
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone
CID 109056455

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone (CID 113006321) is 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone is Cc1cccc(C(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is CCNTTZZGFHCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-6-4-8-20(16-17)22(26)24-14-11-19(12-15-24)23(27)25-13-5-9-18-7-2-3-10-21(18)25/h2-4,6-8,10,16,19H,5,9,11-15H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 113006321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).