2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

C25H29N3O — CID 42749415

IUPAC2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN3CCCCC3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H29N3O/c1-18-10-11-20(16-19(18)2)24-17-22(21-8-4-5-9-23(21)27-24)25(29)26-12-15-28-13-6-3-7-14-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29)
InChIKeyHGGGRENLULSODR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.73
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 42749415) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID42749415
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN3CCCCC3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H29N3O/c1-18-10-11-20(16-19(18)2)24-17-22(21-8-4-5-9-23(21)27-24)25(29)26-12-15-28-13-6-3-7-14-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29)
InChIKeyHGGGRENLULSODR-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
CID 4114426
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (CID 42749415) is 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCN3CCCCC3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is HGGGRENLULSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-10-11-20(16-19(18)2)24-17-22(21-8-4-5-9-23(21)27-24)25(29)26-12-15-28-13-6-3-7-14-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 42749415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).