2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C24H32N4O3 — CID 86890886

IUPAC2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc2cc(C(=O)N3CCN(C(C)C(=O)N4CCCCC4)CC3)c(C)nc2c1
InChIInChI=1S/C24H32N4O3/c1-17-21(15-19-7-8-20(31-3)16-22(19)25-17)24(30)28-13-11-26(12-14-28)18(2)23(29)27-9-5-4-6-10-27/h7-8,15-16,18H,4-6,9-14H2,1-3H3
InChIKeyWZOYOIKEEXCOIU-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 86890886) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID86890886
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc2cc(C(=O)N3CCN(C(C)C(=O)N4CCCCC4)CC3)c(C)nc2c1
InChIInChI=1S/C24H32N4O3/c1-17-21(15-19-7-8-20(31-3)16-22(19)25-17)24(30)28-13-11-26(12-14-28)18(2)23(29)27-9-5-4-6-10-27/h7-8,15-16,18H,4-6,9-14H2,1-3H3
InChIKeyWZOYOIKEEXCOIU-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-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

7-methoxy-2-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-3-carboxamide
CID 94815456
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757
[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55977388
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 55724482
2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 78902446
(3S)-1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 27746161
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519367
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
CID 134047010
(7-methoxy-2-methylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 86890886) is 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is COc1ccc2cc(C(=O)N3CCN(C(C)C(=O)N4CCCCC4)CC3)c(C)nc2c1.
What is the InChIKey of 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is WZOYOIKEEXCOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17-21(15-19-7-8-20(31-3)16-22(19)25-17)24(30)28-13-11-26(12-14-28)18(2)23(29)27-9-5-4-6-10-27/h7-8,15-16,18H,4-6,9-14H2,1-3H3.
What are the key properties of 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 424.55 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 86890886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).