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

C22H23N3O — CID 166626552

IUPACN-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
SMILESCOCc1cc2cc(N(C)c3cc(C)nc4ccccc34)ccc2n1C
InChIInChI=1S/C22H23N3O/c1-15-11-22(19-7-5-6-8-20(19)23-15)24(2)17-9-10-21-16(12-17)13-18(14-26-4)25(21)3/h5-13H,14H2,1-4H3
InChIKeyNAJSWALAKHCCQB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.95
Rot. Bonds4

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

N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine (PubChem CID 166626552) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
PubChem CID166626552
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
SMILESCOCc1cc2cc(N(C)c3cc(C)nc4ccccc34)ccc2n1C
InChIInChI=1S/C22H23N3O/c1-15-11-22(19-7-5-6-8-20(19)23-15)24(2)17-9-10-21-16(12-17)13-18(14-26-4)25(21)3/h5-13H,14H2,1-4H3
InChIKeyNAJSWALAKHCCQB-UHFFFAOYSA-N
XLogP4.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
The IUPAC name of N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine (CID 166626552) is N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
The canonical SMILES for N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine is COCc1cc2cc(N(C)c3cc(C)nc4ccccc34)ccc2n1C.
What is the InChIKey of N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
The InChIKey is NAJSWALAKHCCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-11-22(19-7-5-6-8-20(19)23-15)24(2)17-9-10-21-16(12-17)13-18(14-26-4)25(21)3/h5-13H,14H2,1-4H3.
What are the key properties of N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine?
N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 166626552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).