(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

C20H31N3O3+2 — CID 3635046

IUPAC(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCOc1ccc(OC)c2c(=O)c(C[NH+](C)C3CC[NH+](C)CC3)c(C)[nH]c12
InChIInChI=1S/C20H29N3O3/c1-13-15(12-23(3)14-8-10-22(2)11-9-14)20(24)18-16(25-4)6-7-17(26-5)19(18)21-13/h6-7,14H,8-12H2,1-5H3,(H,21,24)/p+2
InChIKeyPHGZZSSWLVSDFA-UHFFFAOYSA-P
MW361.49 g/mol
LogP-0.45
Rot. Bonds5

About (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 3635046) has the molecular formula C20H31N3O3+2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID3635046
Molecular FormulaC20H31N3O3+2
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCOc1ccc(OC)c2c(=O)c(C[NH+](C)C3CC[NH+](C)CC3)c(C)[nH]c12
InChIInChI=1S/C20H29N3O3/c1-13-15(12-23(3)14-8-10-22(2)11-9-14)20(24)18-16(25-4)6-7-17(26-5)19(18)21-13/h6-7,14H,8-12H2,1-5H3,(H,21,24)/p+2
InChIKeyPHGZZSSWLVSDFA-UHFFFAOYSA-P
XLogP-0.45
TPSA60.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium with MolForge

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Related Compounds

(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3497343
(4-methoxy-3-methylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 2173496
(6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 5073690
(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
CID 4531560
(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 7377989
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82248574
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
5-chloro-8-methoxy-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 4061722
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
5-chloro-8-methoxy-2-methyl-3-[[(1R,5S)-1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 11891394
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649

Frequently Asked Questions

What is the IUPAC name of (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (CID 3635046) is (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is COc1ccc(OC)c2c(=O)c(C[NH+](C)C3CC[NH+](C)CC3)c(C)[nH]c12.
What is the InChIKey of (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is PHGZZSSWLVSDFA-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H29N3O3/c1-13-15(12-23(3)14-8-10-22(2)11-9-14)20(24)18-16(25-4)6-7-17(26-5)19(18)21-13/h6-7,14H,8-12H2,1-5H3,(H,21,24)/p+2.
What are the key properties of (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 361.49 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 3635046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).