4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide

C25H28N4O5 — CID 134137423

IUPAC4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)CCNC(=O)c3c(O)c4ccccc4n(C)c3=O)CC2)c1
InChIInChI=1S/C25H28N4O5/c1-27-20-9-4-3-8-19(20)23(31)22(25(27)33)24(32)26-11-10-21(30)29-14-12-28(13-15-29)17-6-5-7-18(16-17)34-2/h3-9,16,31H,10-15H2,1-2H3,(H,26,32)
InChIKeyFOVJNTQVMYZDAH-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.72
Rot. Bonds6

About 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 134137423) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID134137423
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)CCNC(=O)c3c(O)c4ccccc4n(C)c3=O)CC2)c1
InChIInChI=1S/C25H28N4O5/c1-27-20-9-4-3-8-19(20)23(31)22(25(27)33)24(32)26-11-10-21(30)29-14-12-28(13-15-29)17-6-5-7-18(16-17)34-2/h3-9,16,31H,10-15H2,1-2H3,(H,26,32)
InChIKeyFOVJNTQVMYZDAH-UHFFFAOYSA-N
XLogP1.72
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide (CID 134137423) is 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide is COc1cccc(N2CCN(C(=O)CCNC(=O)c3c(O)c4ccccc4n(C)c3=O)CC2)c1.
What is the InChIKey of 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is FOVJNTQVMYZDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-27-20-9-4-3-8-19(20)23(31)22(25(27)33)24(32)26-11-10-21(30)29-14-12-28(13-15-29)17-6-5-7-18(16-17)34-2/h3-9,16,31H,10-15H2,1-2H3,(H,26,32).
What are the key properties of 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 134137423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).