6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride

C21H30ClN3O3 — CID 154915409

IUPAC6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
SMILESCOc1cc(OC)c2nc(NCC3CC4(CCNCC4)CO3)cc(C)c2c1.Cl
InChIInChI=1S/C21H29N3O3.ClH/c1-14-8-19(24-20-17(14)9-15(25-2)10-18(20)26-3)23-12-16-11-21(13-27-16)4-6-22-7-5-21;/h8-10,16,22H,4-7,11-13H2,1-3H3,(H,23,24);1H
InChIKeyWJPSFRAWOSOGFB-UHFFFAOYSA-N
MW407.94 g/mol
LogP3.55
Rot. Bonds5

About 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride

6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride (PubChem CID 154915409) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
PubChem CID154915409
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC Name6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
SMILESCOc1cc(OC)c2nc(NCC3CC4(CCNCC4)CO3)cc(C)c2c1.Cl
InChIInChI=1S/C21H29N3O3.ClH/c1-14-8-19(24-20-17(14)9-15(25-2)10-18(20)26-3)23-12-16-11-21(13-27-16)4-6-22-7-5-21;/h8-10,16,22H,4-7,11-13H2,1-3H3,(H,23,24);1H
InChIKeyWJPSFRAWOSOGFB-UHFFFAOYSA-N
XLogP3.55
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride with MolForge

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Related Compounds

2-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrimidin-4-amine
CID 135100061
2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154917317
3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide
CID 50957560
3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride
CID 154918332
2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154918040
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine
CID 166617250
tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
CID 99933957
2,5-dimethoxy-4-methyl-N-(morpholin-2-ylmethyl)aniline
CID 115237476
2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
CID 57368663
7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 118760142
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912522

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride?
The IUPAC name of 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride (CID 154915409) is 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride.
What is the SMILES notation for 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride?
The canonical SMILES for 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride is COc1cc(OC)c2nc(NCC3CC4(CCNCC4)CO3)cc(C)c2c1.Cl.
What is the InChIKey of 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride?
The InChIKey is WJPSFRAWOSOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3.ClH/c1-14-8-19(24-20-17(14)9-15(25-2)10-18(20)26-3)23-12-16-11-21(13-27-16)4-6-22-7-5-21;/h8-10,16,22H,4-7,11-13H2,1-3H3,(H,23,24);1H.
What are the key properties of 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride?
6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride has a molecular weight of 407.94 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride is sourced from PubChem (CID 154915409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).