(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C19H19FN4O3 — CID 136801291

IUPAC(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C19H19FN4O3/c20-12-1-2-13-14(8-18(26)23-16(13)7-12)19(27)24-5-3-11(4-6-24)15-9-17(25)22-10-21-15/h1-2,7,9-11,14H,3-6,8H2,(H,23,26)(H,21,22,25)/t14-/m1/s1
InChIKeyUWQJCLAFYCHMIA-CQSZACIVSA-N
MW370.38 g/mol
LogP1.74
Rot. Bonds2

About (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 136801291) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID136801291
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C19H19FN4O3/c20-12-1-2-13-14(8-18(26)23-16(13)7-12)19(27)24-5-3-11(4-6-24)15-9-17(25)22-10-21-15/h1-2,7,9-11,14H,3-6,8H2,(H,23,26)(H,21,22,25)/t14-/m1/s1
InChIKeyUWQJCLAFYCHMIA-CQSZACIVSA-N
XLogP1.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 87011022
7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119539545
(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96542496
7-fluoro-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78870079
7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110883093
(4S)-4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 51647202
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 22829875
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695824

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 136801291) is (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c2ccc(F)cc2N1.
What is the InChIKey of (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UWQJCLAFYCHMIA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-12-1-2-13-14(8-18(26)23-16(13)7-12)19(27)24-5-3-11(4-6-24)15-9-17(25)22-10-21-15/h1-2,7,9-11,14H,3-6,8H2,(H,23,26)(H,21,22,25)/t14-/m1/s1.
What are the key properties of (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 370.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 136801291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).