(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C20H27FN4O3 — CID 167835032

IUPAC(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C1CCc2cc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)c(F)cc2N1
InChIInChI=1S/C20H27FN4O3/c21-16-11-17-15(3-4-19(26)22-17)10-18(16)23-20(27)25-5-1-2-14(13-25)12-24-6-8-28-9-7-24/h10-11,14H,1-9,12-13H2,(H,22,26)(H,23,27)/t14-/m1/s1
InChIKeyLIKZXXRSYJGEIC-CQSZACIVSA-N
MW390.46 g/mol
LogP2.29
Rot. Bonds3

About (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 167835032) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID167835032
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C1CCc2cc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)c(F)cc2N1
InChIInChI=1S/C20H27FN4O3/c21-16-11-17-15(3-4-19(26)22-17)10-18(16)23-20(27)25-5-1-2-14(13-25)12-24-6-8-28-9-7-24/h10-11,14H,1-9,12-13H2,(H,22,26)(H,23,27)/t14-/m1/s1
InChIKeyLIKZXXRSYJGEIC-CQSZACIVSA-N
XLogP2.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 167835032) is (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C1CCc2cc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)c(F)cc2N1.
What is the InChIKey of (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is LIKZXXRSYJGEIC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27FN4O3/c21-16-11-17-15(3-4-19(26)22-17)10-18(16)23-20(27)25-5-1-2-14(13-25)12-24-6-8-28-9-7-24/h10-11,14H,1-9,12-13H2,(H,22,26)(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 167835032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).