N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine

C23H25N3O2 — CID 166631912

IUPACN-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
SMILESCOCOCc1cc2cc(N(C)c3cc(C)nc4ccccc34)ccc2n1C
InChIInChI=1S/C23H25N3O2/c1-16-11-23(20-7-5-6-8-21(20)24-16)25(2)18-9-10-22-17(12-18)13-19(26(22)3)14-28-15-27-4/h5-13H,14-15H2,1-4H3
InChIKeySUPUECULQNROEM-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.92
Rot. Bonds6

About N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine

N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine (PubChem CID 166631912) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
PubChem CID166631912
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
SMILESCOCOCc1cc2cc(N(C)c3cc(C)nc4ccccc34)ccc2n1C
InChIInChI=1S/C23H25N3O2/c1-16-11-23(20-7-5-6-8-21(20)24-16)25(2)18-9-10-22-17(12-18)13-19(26(22)3)14-28-15-27-4/h5-13H,14-15H2,1-4H3
InChIKeySUPUECULQNROEM-UHFFFAOYSA-N
XLogP4.92
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxymethyl)-1-methyl-5-nitro-3-phenylindole
CID 748659
1-methyl-5-nitro-3-phenyl-2-(propoxymethyl)-1H-indole
CID 71148612
2-((benzyloxy)methyl)-1-methyl-5-nitro-3-phenyl-1H-indole
CID 71148622
N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
CID 166626552
N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
CID 166627040
8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 166628425
4-[3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-yl(methyl)amino]quinoline-2-carbonitrile
CID 166633975
N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
CID 166634152
[1-Methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
CID 166635820
[1-Ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
CID 166636150
(1S,3R)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043822
(1S,3S)-3,10-dimethyl-1-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043833

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
The IUPAC name of N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine (CID 166631912) is N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
The canonical SMILES for N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine is COCOCc1cc2cc(N(C)c3cc(C)nc4ccccc34)ccc2n1C.
What is the InChIKey of N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
The InChIKey is SUPUECULQNROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-11-23(20-7-5-6-8-21(20)24-16)25(2)18-9-10-22-17(12-18)13-19(26(22)3)14-28-15-27-4/h5-13H,14-15H2,1-4H3.
What are the key properties of N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine has a molecular weight of 375.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 166631912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).