(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C17H19N5O3 — CID 96511621

IUPAC(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc([C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CCO2)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-10-18-16(21-20-10)14-9-22(6-7-25-14)17(24)12-8-15(23)19-13-5-3-2-4-11(12)13/h2-5,12,14H,6-9H2,1H3,(H,19,23)(H,18,20,21)/t12-,14-/m0/s1
InChIKeyCMYPWMSLNSVPGA-JSGCOSHPSA-N
MW341.37 g/mol
LogP1.14
Rot. Bonds2

About (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 96511621) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID96511621
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc([C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CCO2)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-10-18-16(21-20-10)14-9-22(6-7-25-14)17(24)12-8-15(23)19-13-5-3-2-4-11(12)13/h2-5,12,14H,6-9H2,1H3,(H,19,23)(H,18,20,21)/t12-,14-/m0/s1
InChIKeyCMYPWMSLNSVPGA-JSGCOSHPSA-N
XLogP1.14
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid
CID 125119321
1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127360135
4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 71915920
(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125003710
2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97006454
4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 71880314
(4S)-4-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95128317
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119541751
(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 124993796
2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 95779711
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 55507256

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 96511621) is (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cc1nc([C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CCO2)n[nH]1.
What is the InChIKey of (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CMYPWMSLNSVPGA-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-18-16(21-20-10)14-9-22(6-7-25-14)17(24)12-8-15(23)19-13-5-3-2-4-11(12)13/h2-5,12,14H,6-9H2,1H3,(H,19,23)(H,18,20,21)/t12-,14-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 341.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 96511621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).