1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one

C18H21N3O2S — CID 124619007

IUPAC1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CN3CCO[C@@H](c4nccs4)C3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-20-15-4-2-13(10-14(15)3-5-17(20)22)11-21-7-8-23-16(12-21)18-19-6-9-24-18/h2,4,6,9-10,16H,3,5,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyNXNITRLOAFTBDZ-MRXNPFEDSA-N
MW343.45 g/mol
LogP2.63
Rot. Bonds3

About 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 124619007) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID124619007
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CN3CCO[C@@H](c4nccs4)C3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-20-15-4-2-13(10-14(15)3-5-17(20)22)11-21-7-8-23-16(12-21)18-19-6-9-24-18/h2,4,6,9-10,16H,3,5,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyNXNITRLOAFTBDZ-MRXNPFEDSA-N
XLogP2.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
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(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
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(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine
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6-chloro-2-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 136801819
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(2S)-4-[2-(2-methoxyphenoxy)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 129403722
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975
6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 120907004
4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine
CID 170507338
4-[[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,3-thiazol-2-yl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one (CID 124619007) is 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CN3CCO[C@@H](c4nccs4)C3)ccc21.
What is the InChIKey of 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is NXNITRLOAFTBDZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-20-15-4-2-13(10-14(15)3-5-17(20)22)11-21-7-8-23-16(12-21)18-19-6-9-24-18/h2,4,6,9-10,16H,3,5,7-8,11-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 343.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 124619007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).