(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone

C18H21ClN2O2 — CID 110309956

IUPAC(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(C)c2nc(Cl)c(C(=O)N3C(C)COCC3C)cc2c1
InChIInChI=1S/C18H21ClN2O2/c1-10-5-11(2)16-14(6-10)7-15(17(19)20-16)18(22)21-12(3)8-23-9-13(21)4/h5-7,12-13H,8-9H2,1-4H3
InChIKeyQZKZSMCPDFVCRG-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.75
Rot. Bonds1

About (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone

(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 110309956) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone
PubChem CID110309956
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(C)c2nc(Cl)c(C(=O)N3C(C)COCC3C)cc2c1
InChIInChI=1S/C18H21ClN2O2/c1-10-5-11(2)16-14(6-10)7-15(17(19)20-16)18(22)21-12(3)8-23-9-13(21)4/h5-7,12-13H,8-9H2,1-4H3
InChIKeyQZKZSMCPDFVCRG-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone with MolForge

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Related Compounds

(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110299051
(4-bromo-2-methylphenyl)-[(3R,5S)-3,5-dimethylmorpholin-4-yl]methanone
CID 124505949
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 114553225
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
CID 3215121
(2-amino-4-bromophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 69072889
N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 99700393
2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide
CID 110301948
4-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]benzoic acid
CID 118918329
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
CID 3219509
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone (CID 110309956) is (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone is Cc1cc(C)c2nc(Cl)c(C(=O)N3C(C)COCC3C)cc2c1.
What is the InChIKey of (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is QZKZSMCPDFVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-10-5-11(2)16-14(6-10)7-15(17(19)20-16)18(22)21-12(3)8-23-9-13(21)4/h5-7,12-13H,8-9H2,1-4H3.
What are the key properties of (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone?
(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 332.83 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 110309956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).