1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone

C20H23N3O2 — CID 71929967

IUPAC1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2cccc(C(=O)N3CCN(CC(=O)C4CC4)CC3)c2n1
InChIInChI=1S/C20H23N3O2/c1-14-5-6-16-3-2-4-17(19(16)21-14)20(25)23-11-9-22(10-12-23)13-18(24)15-7-8-15/h2-6,15H,7-13H2,1H3
InChIKeyAYUCPOGGNCRWTD-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.28
Rot. Bonds4

About 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone

1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone (PubChem CID 71929967) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone
PubChem CID71929967
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2cccc(C(=O)N3CCN(CC(=O)C4CC4)CC3)c2n1
InChIInChI=1S/C20H23N3O2/c1-14-5-6-16-3-2-4-17(19(16)21-14)20(25)23-11-9-22(10-12-23)13-18(24)15-7-8-15/h2-6,15H,7-13H2,1H3
InChIKeyAYUCPOGGNCRWTD-UHFFFAOYSA-N
XLogP2.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124699260
3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159439
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124690231
(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 86264475
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 90587710
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone
CID 99883768
(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150011
(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid
CID 129468538
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone
CID 129486246
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone (CID 71929967) is 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone is Cc1ccc2cccc(C(=O)N3CCN(CC(=O)C4CC4)CC3)c2n1.
What is the InChIKey of 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is AYUCPOGGNCRWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-6-16-3-2-4-17(19(16)21-14)20(25)23-11-9-22(10-12-23)13-18(24)15-7-8-15/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone?
1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71929967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).