1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide

C26H35N5O2 — CID 118660082

IUPAC1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCC1C(C)C(Nc2cccc(C)n2)c2cc(C(=O)NC3CCNCC3)ccc2N1C(C)=O
InChIInChI=1S/C26H35N5O2/c1-5-22-17(3)25(30-24-8-6-7-16(2)28-24)21-15-19(9-10-23(21)31(22)18(4)32)26(33)29-20-11-13-27-14-12-20/h6-10,15,17,20,22,25,27H,5,11-14H2,1-4H3,(H,28,30)(H,29,33)
InChIKeyXRUKHFHUCSDFHJ-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.81
Rot. Bonds5

About 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 118660082) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID118660082
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCC1C(C)C(Nc2cccc(C)n2)c2cc(C(=O)NC3CCNCC3)ccc2N1C(C)=O
InChIInChI=1S/C26H35N5O2/c1-5-22-17(3)25(30-24-8-6-7-16(2)28-24)21-15-19(9-10-23(21)31(22)18(4)32)26(33)29-20-11-13-27-14-12-20/h6-10,15,17,20,22,25,27H,5,11-14H2,1-4H3,(H,28,30)(H,29,33)
InChIKeyXRUKHFHUCSDFHJ-UHFFFAOYSA-N
XLogP3.81
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3R,4R)-1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 144701745
(2S,3R)-1-acetyl-N-(2-cyanoethyl)-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 130191341
(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-(oxetan-3-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660443
(2S,3R)-1-acetyl-2-cyclopropyl-N,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 129081509
(2S,3R,4R)-1-acetyl-2,3-dimethyl-N-[2-(methylamino)ethyl]-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434817
(2S,3R,4R)-1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434845
(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434912
1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride
CID 118660093
2-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl]amino]ethyl-methylcarbamic acid
CID 90427728
1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660224
1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081588
1-[2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123236683

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 118660082) is 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide is CCC1C(C)C(Nc2cccc(C)n2)c2cc(C(=O)NC3CCNCC3)ccc2N1C(C)=O.
What is the InChIKey of 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is XRUKHFHUCSDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-5-22-17(3)25(30-24-8-6-7-16(2)28-24)21-15-19(9-10-23(21)31(22)18(4)32)26(33)29-20-11-13-27-14-12-20/h6-10,15,17,20,22,25,27H,5,11-14H2,1-4H3,(H,28,30)(H,29,33).
What are the key properties of 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 118660082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).