4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride

C17H15ClN2O — CID 10685512

IUPAC4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESCOc1cccc2cc3[nH]c4ccccc4c3[n+](C)c12.[Cl-]
InChIInChI=1S/C17H14N2O.ClH/c1-19-16-11(6-5-9-15(16)20-2)10-14-17(19)12-7-3-4-8-13(12)18-14;/h3-10H,1-2H3;1H
InChIKeyBAXVFFJKFISROU-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.31
Rot. Bonds1

About 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride

4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride (PubChem CID 10685512) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride.

Molecular Properties

Compound Name4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
PubChem CID10685512
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESCOc1cccc2cc3[nH]c4ccccc4c3[n+](C)c12.[Cl-]
InChIInChI=1S/C17H14N2O.ClH/c1-19-16-11(6-5-9-15(16)20-2)10-14-17(19)12-7-3-4-8-13(12)18-14;/h3-10H,1-2H3;1H
InChIKeyBAXVFFJKFISROU-UHFFFAOYSA-N
XLogP0.31
TPSA28.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 375150
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CID 5318875
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CID 196776
CID 196776
CID 14355088
CID 14355088
CID 9906183
CID 9906183
CID 44419695
CID 44419695
CID 424430
CID 424430
CID 3307854
CID 3307854
CID 3758900
CID 3758900
CID 21823379
CID 21823379
CID 25186020
CID 25186020
CID 44297512
CID 44297512

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The IUPAC name of 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride (CID 10685512) is 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride.
What is the SMILES notation for 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The canonical SMILES for 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride is COc1cccc2cc3[nH]c4ccccc4c3[n+](C)c12.[Cl-].
What is the InChIKey of 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The InChIKey is BAXVFFJKFISROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O.ClH/c1-19-16-11(6-5-9-15(16)20-2)10-14-17(19)12-7-3-4-8-13(12)18-14;/h3-10H,1-2H3;1H.
What are the key properties of 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride has a molecular weight of 298.77 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride is sourced from PubChem (CID 10685512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).