1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone

C21H26N4O4 — CID 177077574

IUPAC1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C21H26N4O4/c1-15(26)23-5-7-24(8-6-23)19-14-20(28-2)22-18-4-3-16(13-17(18)19)21(27)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3
InChIKeyHJSKPYKOHRUCTJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.38
Rot. Bonds3

About 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone (PubChem CID 177077574) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
PubChem CID177077574
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C21H26N4O4/c1-15(26)23-5-7-24(8-6-23)19-14-20(28-2)22-18-4-3-16(13-17(18)19)21(27)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3
InChIKeyHJSKPYKOHRUCTJ-UHFFFAOYSA-N
XLogP1.38
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 177077561
[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
CID 177077621
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
CID 167445629
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9265987
4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid
CID 141127616

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone (CID 177077574) is 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)c2cc(C(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is HJSKPYKOHRUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(26)23-5-7-24(8-6-23)19-14-20(28-2)22-18-4-3-16(13-17(18)19)21(27)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 398.46 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 177077574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).