4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide

C24H26N4O3 — CID 22184796

IUPAC4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H26N4O3/c1-17-6-5-7-18(14-17)27-10-12-28(13-11-27)23(29)16-25-24(30)21-15-22(31-2)19-8-3-4-9-20(19)26-21/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30)
InChIKeyGOUZAYCGHPMSHR-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.63
Rot. Bonds5

About 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide

4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide (PubChem CID 22184796) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide
PubChem CID22184796
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H26N4O3/c1-17-6-5-7-18(14-17)27-10-12-28(13-11-27)23(29)16-25-24(30)21-15-22(31-2)19-8-3-4-9-20(19)26-21/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30)
InChIKeyGOUZAYCGHPMSHR-UHFFFAOYSA-N
XLogP2.63
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide (CID 22184796) is 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide is COc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)nc2ccccc12.
What is the InChIKey of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide?
The InChIKey is GOUZAYCGHPMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-6-5-7-18(14-17)27-10-12-28(13-11-27)23(29)16-25-24(30)21-15-22(31-2)19-8-3-4-9-20(19)26-21/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30).
What are the key properties of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide?
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide is sourced from PubChem (CID 22184796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).