2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C21H25FN4O3 — CID 78828494

IUPAC2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H25FN4O3/c1-15-18(12-16-2-3-17(22)13-19(16)23-15)21(28)26-6-4-24(5-7-26)14-20(27)25-8-10-29-11-9-25/h2-3,12-13H,4-11,14H2,1H3
InChIKeyLXBUWMPKEAXKIA-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.30
Rot. Bonds3

About 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 78828494) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID78828494
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H25FN4O3/c1-15-18(12-16-2-3-17(22)13-19(16)23-15)21(28)26-6-4-24(5-7-26)14-20(27)25-8-10-29-11-9-25/h2-3,12-13H,4-11,14H2,1H3
InChIKeyLXBUWMPKEAXKIA-UHFFFAOYSA-N
XLogP1.30
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 78828494) is 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LXBUWMPKEAXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-15-18(12-16-2-3-17(22)13-19(16)23-15)21(28)26-6-4-24(5-7-26)14-20(27)25-8-10-29-11-9-25/h2-3,12-13H,4-11,14H2,1H3.
What are the key properties of 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 400.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78828494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).