1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one

C28H33FN4O2 — CID 155555977

IUPAC1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2cc(-c3ccc(CN4CCOCC4)cc3)nc3ccc(F)cc23)CC1
InChIInChI=1S/C28H33FN4O2/c1-2-28(34)33-11-9-31(10-12-33)20-23-17-27(30-26-8-7-24(29)18-25(23)26)22-5-3-21(4-6-22)19-32-13-15-35-16-14-32/h3-8,17-18H,2,9-16,19-20H2,1H3
InChIKeyRXMFHCGJGXYFHB-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.93
Rot. Bonds6

About 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one

1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 155555977) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID155555977
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2cc(-c3ccc(CN4CCOCC4)cc3)nc3ccc(F)cc23)CC1
InChIInChI=1S/C28H33FN4O2/c1-2-28(34)33-11-9-31(10-12-33)20-23-17-27(30-26-8-7-24(29)18-25(23)26)22-5-3-21(4-6-22)19-32-13-15-35-16-14-32/h3-8,17-18H,2,9-16,19-20H2,1H3
InChIKeyRXMFHCGJGXYFHB-UHFFFAOYSA-N
XLogP3.93
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one (CID 155555977) is 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2cc(-c3ccc(CN4CCOCC4)cc3)nc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is RXMFHCGJGXYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-2-28(34)33-11-9-31(10-12-33)20-23-17-27(30-26-8-7-24(29)18-25(23)26)22-5-3-21(4-6-22)19-32-13-15-35-16-14-32/h3-8,17-18H,2,9-16,19-20H2,1H3.
What are the key properties of 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one?
1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 476.60 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155555977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).