N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine

C15H18N2O2 — CID 82572504

IUPACN-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine
SMILESCNc1cccc2ccnc(OCC3CCCO3)c12
InChIInChI=1S/C15H18N2O2/c1-16-13-6-2-4-11-7-8-17-15(14(11)13)19-10-12-5-3-9-18-12/h2,4,6-8,12,16H,3,5,9-10H2,1H3
InChIKeyXQSNEVLZVBQGIE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine

N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine (PubChem CID 82572504) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine
PubChem CID82572504
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine
SMILESCNc1cccc2ccnc(OCC3CCCO3)c12
InChIInChI=1S/C15H18N2O2/c1-16-13-6-2-4-11-7-8-17-15(14(11)13)19-10-12-5-3-9-18-12/h2,4,6-8,12,16H,3,5,9-10H2,1H3
InChIKeyXQSNEVLZVBQGIE-UHFFFAOYSA-N
XLogP2.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426
methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
CID 131992608
N-ethyl-1-[2-(oxolan-2-ylmethoxy)-3-pyridinyl]ethanamine
CID 114056588
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
2,3-dimethyl-7-(oxolan-2-ylmethoxy)-1H-pyrrolo[2,3-c]pyridine
CID 11565020
6-methoxy-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 115321070
2-methyl-N-[[2-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291392
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
1-(oxolan-2-ylmethoxy)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972445
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine?
The IUPAC name of N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine (CID 82572504) is N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine.
What is the SMILES notation for N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine?
The canonical SMILES for N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine is CNc1cccc2ccnc(OCC3CCCO3)c12.
What is the InChIKey of N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine?
The InChIKey is XQSNEVLZVBQGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-13-6-2-4-11-7-8-17-15(14(11)13)19-10-12-5-3-9-18-12/h2,4,6-8,12,16H,3,5,9-10H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine?
N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine has a molecular weight of 258.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine is sourced from PubChem (CID 82572504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).