(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium

C20H30ClN2O2+ — CID 4531560

IUPAC(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
SMILESCOc1ccc(Cl)c2c(=O)c(C[NH+](CC(C)C)CC(C)C)c(C)[nH]c12
InChIInChI=1S/C20H29ClN2O2/c1-12(2)9-23(10-13(3)4)11-15-14(5)22-19-17(25-6)8-7-16(21)18(19)20(15)24/h7-8,12-13H,9-11H2,1-6H3,(H,22,24)/p+1
InChIKeyFHAXTGPTMYFVFJ-UHFFFAOYSA-O
MW365.93 g/mol
LogP3.20
Rot. Bonds7

About (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium

(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium (PubChem CID 4531560) has the molecular formula C20H30ClN2O2+ and a molecular weight of 365.93 g/mol. Its IUPAC name is (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium.

Molecular Properties

Compound Name(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
PubChem CID4531560
Molecular FormulaC20H30ClN2O2+
Molecular Weight365.93 g/mol
Exact Mass365.20
IUPAC Name(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
SMILESCOc1ccc(Cl)c2c(=O)c(C[NH+](CC(C)C)CC(C)C)c(C)[nH]c12
InChIInChI=1S/C20H29ClN2O2/c1-12(2)9-23(10-13(3)4)11-15-14(5)22-19-17(25-6)8-7-16(21)18(19)20(15)24/h7-8,12-13H,9-11H2,1-6H3,(H,22,24)/p+1
InChIKeyFHAXTGPTMYFVFJ-UHFFFAOYSA-O
XLogP3.20
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium with MolForge

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Related Compounds

3-(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82248574
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
5-chloro-8-methoxy-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 4061722
(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3635046
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
9-chloro-6-methoxy-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
CID 106470878
2-(6-chloro-8-methoxy-2,5-dimethyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82248573
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82246809
(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
CID 83868244
8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
CID 23442496
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727

Frequently Asked Questions

What is the IUPAC name of (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium?
The IUPAC name of (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium (CID 4531560) is (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium.
What is the SMILES notation for (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium?
The canonical SMILES for (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium is COc1ccc(Cl)c2c(=O)c(C[NH+](CC(C)C)CC(C)C)c(C)[nH]c12.
What is the InChIKey of (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium?
The InChIKey is FHAXTGPTMYFVFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29ClN2O2/c1-12(2)9-23(10-13(3)4)11-15-14(5)22-19-17(25-6)8-7-16(21)18(19)20(15)24/h7-8,12-13H,9-11H2,1-6H3,(H,22,24)/p+1.
What are the key properties of (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium?
(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium has a molecular weight of 365.93 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium is sourced from PubChem (CID 4531560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).