1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone

C24H35N3O2 — CID 139324725

IUPAC1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone
SMILESCCC(NC1CCCCC1)[C@H](CNc1nc2ccc(C)cc2cc1C(C)=O)OC
InChIInChI=1S/C24H35N3O2/c1-5-21(26-19-9-7-6-8-10-19)23(29-4)15-25-24-20(17(3)28)14-18-13-16(2)11-12-22(18)27-24/h11-14,19,21,23,26H,5-10,15H2,1-4H3,(H,25,27)/t21?,23-/m0/s1
InChIKeyJPIPYWRHEFKZCT-YANBTOMASA-N
MW397.56 g/mol
LogP4.87
Rot. Bonds9

About 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone

1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone (PubChem CID 139324725) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone
PubChem CID139324725
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone
SMILESCCC(NC1CCCCC1)[C@H](CNc1nc2ccc(C)cc2cc1C(C)=O)OC
InChIInChI=1S/C24H35N3O2/c1-5-21(26-19-9-7-6-8-10-19)23(29-4)15-25-24-20(17(3)28)14-18-13-16(2)11-12-22(18)27-24/h11-14,19,21,23,26H,5-10,15H2,1-4H3,(H,25,27)/t21?,23-/m0/s1
InChIKeyJPIPYWRHEFKZCT-YANBTOMASA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone with MolForge

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Related Compounds

ethyl 2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinoline-3-carboxylate
CID 123210006
2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-N,N,6-trimethylquinoline-3-carboxamide
CID 123680254
1-[5-bromo-2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-3-pyridinyl]ethanone
CID 144575524
3-N-cyclohexyl-1-N-[3-(1-ethoxyethenyl)-6-methylquinoxalin-2-yl]-2-methoxypentane-1,3-diamine
CID 123413642
2-[3-(cyclohexylamino)pentylamino]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 147998906
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide
CID 123145374
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 82313718
propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 118263864
N-(1-aminoethyl)-3-[(2S,3R)-3-(cyclohexylamino)-2-methoxypentyl]imino-7-methyl-2,4-dihydro-1H-quinoxaline-2-carboxamide
CID 144575686
2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 140681712
[4-[2-(cyclopentylamino)-1-hydroxybutyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 13080825

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone (CID 139324725) is 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone is CCC(NC1CCCCC1)[C@H](CNc1nc2ccc(C)cc2cc1C(C)=O)OC.
What is the InChIKey of 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone?
The InChIKey is JPIPYWRHEFKZCT-YANBTOMASA-N. The full InChI is InChI=1S/C24H35N3O2/c1-5-21(26-19-9-7-6-8-10-19)23(29-4)15-25-24-20(17(3)28)14-18-13-16(2)11-12-22(18)27-24/h11-14,19,21,23,26H,5-10,15H2,1-4H3,(H,25,27)/t21?,23-/m0/s1.
What are the key properties of 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone?
1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone has a molecular weight of 397.56 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone is sourced from PubChem (CID 139324725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).