(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine

C20H21ClN4O — CID 157045232

IUPAC(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine
SMILESCc1cc([C@H]2CN(c3cc(Cl)c4nc(C)c(C)nc4c3)CCO2)ccn1
InChIInChI=1S/C20H21ClN4O/c1-12-8-15(4-5-22-12)19-11-25(6-7-26-19)16-9-17(21)20-18(10-16)23-13(2)14(3)24-20/h4-5,8-10,19H,6-7,11H2,1-3H3/t19-/m1/s1
InChIKeyNTQCZUXTAUSOKI-LJQANCHMSA-N
MW368.87 g/mol
LogP4.18
Rot. Bonds2

About (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine

(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine (PubChem CID 157045232) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine
PubChem CID157045232
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine
SMILESCc1cc([C@H]2CN(c3cc(Cl)c4nc(C)c(C)nc4c3)CCO2)ccn1
InChIInChI=1S/C20H21ClN4O/c1-12-8-15(4-5-22-12)19-11-25(6-7-26-19)16-9-17(21)20-18(10-16)23-13(2)14(3)24-20/h4-5,8-10,19H,6-7,11H2,1-3H3/t19-/m1/s1
InChIKeyNTQCZUXTAUSOKI-LJQANCHMSA-N
XLogP4.18
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
CID 157045000
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)but-3-enyl]pteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 167284147
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044639
4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044830
(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 174207775
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347
4-(8-chloro-2-methylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185349
13-(4-chloro-2-fluorophenyl)-11-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151970

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine?
The IUPAC name of (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine (CID 157045232) is (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine.
What is the SMILES notation for (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine?
The canonical SMILES for (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine is Cc1cc([C@H]2CN(c3cc(Cl)c4nc(C)c(C)nc4c3)CCO2)ccn1.
What is the InChIKey of (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine?
The InChIKey is NTQCZUXTAUSOKI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12-8-15(4-5-22-12)19-11-25(6-7-26-19)16-9-17(21)20-18(10-16)23-13(2)14(3)24-20/h4-5,8-10,19H,6-7,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine?
(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine has a molecular weight of 368.87 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine is sourced from PubChem (CID 157045232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).