7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one

C25H32N4O2 — CID 163513504

IUPAC7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCCC3CCC(NCc4ccc(C)nc4)CC3)c2c1
InChIInChI=1S/C25H32N4O2/c1-18-5-6-20(15-26-18)16-27-21-9-7-19(8-10-21)4-3-13-29-24-14-22(31-2)11-12-23(24)28-17-25(29)30/h5-6,11-12,14-15,17,19,21,27H,3-4,7-10,13,16H2,1-2H3
InChIKeyDESYHGJONKJPMM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.24
Rot. Bonds8

About 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one

7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one (PubChem CID 163513504) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one
PubChem CID163513504
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCCC3CCC(NCc4ccc(C)nc4)CC3)c2c1
InChIInChI=1S/C25H32N4O2/c1-18-5-6-20(15-26-18)16-27-21-9-7-19(8-10-21)4-3-13-29-24-14-22(31-2)11-12-23(24)28-17-25(29)30/h5-6,11-12,14-15,17,19,21,27H,3-4,7-10,13,16H2,1-2H3
InChIKeyDESYHGJONKJPMM-UHFFFAOYSA-N
XLogP4.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one 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

1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-[(4-chloro-3-nitrophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 130210982
1-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 67538574
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997574
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one?
The IUPAC name of 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one (CID 163513504) is 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one.
What is the SMILES notation for 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one?
The canonical SMILES for 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one is COc1ccc2ncc(=O)n(CCCC3CCC(NCc4ccc(C)nc4)CC3)c2c1.
What is the InChIKey of 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one?
The InChIKey is DESYHGJONKJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-5-6-20(15-26-18)16-27-21-9-7-19(8-10-21)4-3-13-29-24-14-22(31-2)11-12-23(24)28-17-25(29)30/h5-6,11-12,14-15,17,19,21,27H,3-4,7-10,13,16H2,1-2H3.
What are the key properties of 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one?
7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one has a molecular weight of 420.56 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one is sourced from PubChem (CID 163513504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).