2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline

C19H17N3O — CID 143893671

IUPAC2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline
SMILESCOCc1c2ccccc2nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O/c1-23-13-19-16-7-3-5-9-18(16)21-22(19)12-15-11-10-14-6-2-4-8-17(14)20-15/h2-11H,12-13H2,1H3
InChIKeyKJLKSFXOHHPZQS-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.78
Rot. Bonds4

About 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline

2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline (PubChem CID 143893671) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline
PubChem CID143893671
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline
SMILESCOCc1c2ccccc2nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O/c1-23-13-19-16-7-3-5-9-18(16)21-22(19)12-15-11-10-14-6-2-4-8-17(14)20-15/h2-11H,12-13H2,1H3
InChIKeyKJLKSFXOHHPZQS-UHFFFAOYSA-N
XLogP3.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 75446523
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
2-(2-methoxyethyl)quinoline
CID 129321824
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
2-[2-(2-methylnaphthalen-1-yl)ethyl]quinoline
CID 57166533
CID 89210421
CID 89210421
2-[[4-(2-chloroethyl)piperazin-1-yl]methyl]quinoline
CID 63386827
2-(methoxymethyl)quinolin-4-amine
CID 62320068
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline
CID 21196250

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline?
The IUPAC name of 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline (CID 143893671) is 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline.
What is the SMILES notation for 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline?
The canonical SMILES for 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline is COCc1c2ccccc2nn1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline?
The InChIKey is KJLKSFXOHHPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-13-19-16-7-3-5-9-18(16)21-22(19)12-15-11-10-14-6-2-4-8-17(14)20-15/h2-11H,12-13H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline?
2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline has a molecular weight of 303.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline is sourced from PubChem (CID 143893671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).