N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide

C26H32N4O4 — CID 122183782

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1
InChIInChI=1S/C26H32N4O4/c1-33-22-7-8-23-19(16-22)15-20(17-28-23)26(32)27-10-9-21(31)18-29-11-13-30(14-12-29)24-5-3-4-6-25(24)34-2/h3-8,15-17,21,31H,9-14,18H2,1-2H3,(H,27,32)
InChIKeyCHORKXOAHORPHG-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.56
Rot. Bonds9

About N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide (PubChem CID 122183782) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
PubChem CID122183782
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1
InChIInChI=1S/C26H32N4O4/c1-33-22-7-8-23-19(16-22)15-20(17-28-23)26(32)27-10-9-21(31)18-29-11-13-30(14-12-29)24-5-3-4-6-25(24)34-2/h3-8,15-17,21,31H,9-14,18H2,1-2H3,(H,27,32)
InChIKeyCHORKXOAHORPHG-UHFFFAOYSA-N
XLogP2.56
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
CID 122183783
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
N-(2-hydroxyethyl)-6-methoxyquinoline-3-carboxamide
CID 110489941
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
1-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 68643663
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
CID 59840227
3-[(E)-but-1-enyl]-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxamide
CID 176663303
methyl N-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504727
N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
CID 71047294
ethane;N-[4-[4-(2-fluoro-3-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-4-methyl-3-(3-methyl-2-oxopentyl)benzamide
CID 176663315

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide (CID 122183782) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide is COc1ccc2ncc(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide?
The InChIKey is CHORKXOAHORPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-22-7-8-23-19(16-22)15-20(17-28-23)26(32)27-10-9-21(31)18-29-11-13-30(14-12-29)24-5-3-4-6-25(24)34-2/h3-8,15-17,21,31H,9-14,18H2,1-2H3,(H,27,32).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 122183782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).