2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline

C22H24N2O2 — CID 56722322

IUPAC2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
SMILESCOc1cc(CN2CCCC2)ccc1Oc1nc2ccccc2cc1C
InChIInChI=1S/C22H24N2O2/c1-16-13-18-7-3-4-8-19(18)23-22(16)26-20-10-9-17(14-21(20)25-2)15-24-11-5-6-12-24/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3
InChIKeyBURCDTYJLRTNHD-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.94
Rot. Bonds5

About 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline

2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline (PubChem CID 56722322) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline.

Molecular Properties

Compound Name2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
PubChem CID56722322
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
SMILESCOc1cc(CN2CCCC2)ccc1Oc1nc2ccccc2cc1C
InChIInChI=1S/C22H24N2O2/c1-16-13-18-7-3-4-8-19(18)23-22(16)26-20-10-9-17(14-21(20)25-2)15-24-11-5-6-12-24/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3
InChIKeyBURCDTYJLRTNHD-UHFFFAOYSA-N
XLogP4.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]-N,N-dimethylpyrazin-2-amine
CID 56708628
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline
CID 37254305
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
2-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 8719857
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
CID 56906629
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
2-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 8711855
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline?
The IUPAC name of 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline (CID 56722322) is 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline.
What is the SMILES notation for 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline?
The canonical SMILES for 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline is COc1cc(CN2CCCC2)ccc1Oc1nc2ccccc2cc1C.
What is the InChIKey of 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline?
The InChIKey is BURCDTYJLRTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-13-18-7-3-4-8-19(18)23-22(16)26-20-10-9-17(14-21(20)25-2)15-24-11-5-6-12-24/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline?
2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline has a molecular weight of 348.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline is sourced from PubChem (CID 56722322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).