N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

C19H20FN5O2 — CID 72872019

IUPACN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESO=C1CCc2cc(F)cc(NC(=O)N3CCCC(c4ccncn4)C3)c2N1
InChIInChI=1S/C19H20FN5O2/c20-14-8-12-3-4-17(26)24-18(12)16(9-14)23-19(27)25-7-1-2-13(10-25)15-5-6-21-11-22-15/h5-6,8-9,11,13H,1-4,7,10H2,(H,23,27)(H,24,26)
InChIKeyQHJBEIRFTDWZID-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.91
Rot. Bonds2

About N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 72872019) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID72872019
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESO=C1CCc2cc(F)cc(NC(=O)N3CCCC(c4ccncn4)C3)c2N1
InChIInChI=1S/C19H20FN5O2/c20-14-8-12-3-4-17(26)24-18(12)16(9-14)23-19(27)25-7-1-2-13(10-25)15-5-6-21-11-22-15/h5-6,8-9,11,13H,1-4,7,10H2,(H,23,27)(H,24,26)
InChIKeyQHJBEIRFTDWZID-UHFFFAOYSA-N
XLogP2.91
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide
CID 126432771
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72839739
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110114925
(3S)-N-[4-(azepan-1-yl)butyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126437475
(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
CID 124736316
(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125168484
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124964626

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide (CID 72872019) is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide is O=C1CCc2cc(F)cc(NC(=O)N3CCCC(c4ccncn4)C3)c2N1.
What is the InChIKey of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is QHJBEIRFTDWZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-14-8-12-3-4-17(26)24-18(12)16(9-14)23-19(27)25-7-1-2-13(10-25)15-5-6-21-11-22-15/h5-6,8-9,11,13H,1-4,7,10H2,(H,23,27)(H,24,26).
What are the key properties of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 72872019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).