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

C25H30N4O3 — CID 122183778

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)
InChIKeyFKBRVKLQNBDXPE-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.55
Rot. Bonds8

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

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide (PubChem CID 122183778) 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-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
PubChem CID122183778
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)
InChIKeyFKBRVKLQNBDXPE-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide (CID 122183778) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide is COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide?
The InChIKey is FKBRVKLQNBDXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-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-3-carboxamide is sourced from PubChem (CID 122183778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).