N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide

C25H30N4O3 — CID 122183783

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cccnc3c2)CC1
InChIInChI=1S/C25H30N4O3/c1-32-24-7-3-2-6-23(24)29-15-13-28(14-16-29)18-21(30)10-12-27-25(31)20-9-8-19-5-4-11-26-22(19)17-20/h2-9,11,17,21,30H,10,12-16,18H2,1H3,(H,27,31)
InChIKeyNVECQJGBKKFGEZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.55
Rot. Bonds8

About N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide (PubChem CID 122183783) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
PubChem CID122183783
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cccnc3c2)CC1
InChIInChI=1S/C25H30N4O3/c1-32-24-7-3-2-6-23(24)29-15-13-28(14-16-29)18-21(30)10-12-27-25(31)20-9-8-19-5-4-11-26-22(19)17-20/h2-9,11,17,21,30H,10,12-16,18H2,1H3,(H,27,31)
InChIKeyNVECQJGBKKFGEZ-UHFFFAOYSA-N
XLogP2.55
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide 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

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
CID 122183782
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide
CID 176663308
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-iodo-1H-indole-2-carboxamide
CID 42626380
ethane;N-[4-[4-(2-fluoro-3-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-4-methyl-3-(3-methyl-2-oxopentyl)benzamide
CID 176663315
N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
CID 71047294
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]naphthalene-2-carboxamide
CID 44532093
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] 3,4,5-trimethoxybenzoate
CID 110183536
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
4-(3-ethyl-3-fluoroazetidin-1-yl)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclohexane-1-carboxamide
CID 176663394
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide (CID 122183783) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide is COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3cccnc3c2)CC1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide?
The InChIKey is NVECQJGBKKFGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-32-24-7-3-2-6-23(24)29-15-13-28(14-16-29)18-21(30)10-12-27-25(31)20-9-8-19-5-4-11-26-22(19)17-20/h2-9,11,17,21,30H,10,12-16,18H2,1H3,(H,27,31).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide is sourced from PubChem (CID 122183783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).