(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C19H19FN4O2 — CID 97130056

IUPAC(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)c2cc(F)ccc2N1
InChIInChI=1S/C19H19FN4O2/c20-13-1-2-17-15(11-13)16(12-18(25)22-17)19(26)24-9-7-23(8-10-24)14-3-5-21-6-4-14/h1-6,11,16H,7-10,12H2,(H,22,25)/t16-/m0/s1
InChIKeyBZOJDSMJYUUJFB-INIZCTEOSA-N
MW354.38 g/mol
LogP2.00
Rot. Bonds2

About (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 97130056) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID97130056
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)c2cc(F)ccc2N1
InChIInChI=1S/C19H19FN4O2/c20-13-1-2-17-15(11-13)16(12-18(25)22-17)19(26)24-9-7-23(8-10-24)14-3-5-21-6-4-14/h1-6,11,16H,7-10,12H2,(H,22,25)/t16-/m0/s1
InChIKeyBZOJDSMJYUUJFB-INIZCTEOSA-N
XLogP2.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-6-fluoro-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 97119608
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 87011022
2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97110676
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 46570584
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
7-fluoro-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78870079
(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 25469157
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
6-fluoro-4-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 169416169

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 97130056) is (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)c2cc(F)ccc2N1.
What is the InChIKey of (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BZOJDSMJYUUJFB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-13-1-2-17-15(11-13)16(12-18(25)22-17)19(26)24-9-7-23(8-10-24)14-3-5-21-6-4-14/h1-6,11,16H,7-10,12H2,(H,22,25)/t16-/m0/s1.
What are the key properties of (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 354.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 97130056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).