3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one

C24H30N4O — CID 155406310

IUPAC3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one
SMILESCCc1cc(CN(Cc2cn(C)c3ccccc3c2=O)[C@@H]2CCCNC2)ccn1
InChIInChI=1S/C24H30N4O/c1-3-20-13-18(10-12-26-20)15-28(21-7-6-11-25-14-21)17-19-16-27(2)23-9-5-4-8-22(23)24(19)29/h4-5,8-10,12-13,16,21,25H,3,6-7,11,14-15,17H2,1-2H3/t21-/m1/s1
InChIKeyZACDMMJRXGSSTE-OAQYLSRUSA-N
MW390.53 g/mol
LogP3.25
Rot. Bonds6

About 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one

3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one (PubChem CID 155406310) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one
PubChem CID155406310
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one
SMILESCCc1cc(CN(Cc2cn(C)c3ccccc3c2=O)[C@@H]2CCCNC2)ccn1
InChIInChI=1S/C24H30N4O/c1-3-20-13-18(10-12-26-20)15-28(21-7-6-11-25-14-21)17-19-16-27(2)23-9-5-4-8-22(23)24(19)29/h4-5,8-10,12-13,16,21,25H,3,6-7,11,14-15,17H2,1-2H3/t21-/m1/s1
InChIKeyZACDMMJRXGSSTE-OAQYLSRUSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-bromopyridazine;3-[[(2-methoxy-4-pyridinyl)methyl-piperidin-3-ylamino]methyl]-1-methylquinolin-4-one;3-[[(2-methoxy-4-pyridinyl)methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]methyl]-1-methylquinolin-4-one
CID 167696702
3-[[[(3S)-1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-[(2-methyl-4-pyridinyl)methyl]amino]methyl]-1-methylquinolin-4-one
CID 155405904
ethyl 2-[[5-[(3S)-3-[(1-methyl-4-oxoquinolin-3-yl)methyl-[(2-methyl-4-pyridinyl)methyl]amino]piperidin-1-yl]-2-pyridinyl]oxy]acetate
CID 175271992
3-[3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-1-yl]propanoic acid
CID 175272016
3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1-(oxetan-3-yl)quinolin-4-one
CID 155405895
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one
CID 156752706
2-bromo-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one
CID 155737973
3-benzyl-1-methylquinolin-4-one
CID 10988673
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
CID 65058560

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one?
The IUPAC name of 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one (CID 155406310) is 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one.
What is the SMILES notation for 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one?
The canonical SMILES for 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one is CCc1cc(CN(Cc2cn(C)c3ccccc3c2=O)[C@@H]2CCCNC2)ccn1.
What is the InChIKey of 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one?
The InChIKey is ZACDMMJRXGSSTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-20-13-18(10-12-26-20)15-28(21-7-6-11-25-14-21)17-19-16-27(2)23-9-5-4-8-22(23)24(19)29/h4-5,8-10,12-13,16,21,25H,3,6-7,11,14-15,17H2,1-2H3/t21-/m1/s1.
What are the key properties of 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one?
3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one has a molecular weight of 390.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-4-pyridinyl)methyl-[(3R)-piperidin-3-yl]amino]methyl]-1-methylquinolin-4-one is sourced from PubChem (CID 155406310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).