2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one

C22H27N3O4 — CID 95895084

IUPAC2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one
SMILESCC1CCN(C(=O)C[C@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[nH]2)CC1
InChIInChI=1S/C22H27N3O4/c1-15-6-8-24(9-7-15)21(27)12-16-14-29-11-10-25(16)22(28)19-13-20(26)17-4-2-3-5-18(17)23-19/h2-5,13,15-16H,6-12,14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyXGOILQXNOCGLLC-INIZCTEOSA-N
MW397.48 g/mol
LogP2.02
Rot. Bonds3

About 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one

2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one (PubChem CID 95895084) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one
PubChem CID95895084
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one
SMILESCC1CCN(C(=O)C[C@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[nH]2)CC1
InChIInChI=1S/C22H27N3O4/c1-15-6-8-24(9-7-15)21(27)12-16-14-29-11-10-25(16)22(28)19-13-20(26)17-4-2-3-5-18(17)23-19/h2-5,13,15-16H,6-12,14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyXGOILQXNOCGLLC-INIZCTEOSA-N
XLogP2.02
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136
2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 95975192
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 56894607
2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one
CID 136738161
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504437
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one (CID 95895084) is 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one is CC1CCN(C(=O)C[C@H]2COCCN2C(=O)c2cc(=O)c3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one?
The InChIKey is XGOILQXNOCGLLC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-6-8-24(9-7-15)21(27)12-16-14-29-11-10-25(16)22(28)19-13-20(26)17-4-2-3-5-18(17)23-19/h2-5,13,15-16H,6-12,14H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one?
2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one has a molecular weight of 397.48 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95895084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).