1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride

C24H21ClN2O2 — CID 2904976

IUPAC1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride
SMILESOc1cccc2ccc[n+](CC(O)Cn3c4ccccc4c4ccccc43)c12.[Cl-]
InChIInChI=1S/C24H20N2O2.ClH/c27-18(15-25-14-6-8-17-7-5-13-23(28)24(17)25)16-26-21-11-3-1-9-19(21)20-10-2-4-12-22(20)26;/h1-14,18,27H,15-16H2;1H
InChIKeyLBTOQFFRGMMKRY-UHFFFAOYSA-N
MW404.90 g/mol
LogP1.01
Rot. Bonds4

About 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride

1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride (PubChem CID 2904976) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride.

Molecular Properties

Compound Name1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride
PubChem CID2904976
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride
SMILESOc1cccc2ccc[n+](CC(O)Cn3c4ccccc4c4ccccc43)c12.[Cl-]
InChIInChI=1S/C24H20N2O2.ClH/c27-18(15-25-14-6-8-17-7-5-13-23(28)24(17)25)16-26-21-11-3-1-9-19(21)20-10-2-4-12-22(20)26;/h1-14,18,27H,15-16H2;1H
InChIKeyLBTOQFFRGMMKRY-UHFFFAOYSA-N
XLogP1.01
TPSA49.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride?
The IUPAC name of 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride (CID 2904976) is 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride.
What is the SMILES notation for 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride?
The canonical SMILES for 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride is Oc1cccc2ccc[n+](CC(O)Cn3c4ccccc4c4ccccc43)c12.[Cl-].
What is the InChIKey of 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride?
The InChIKey is LBTOQFFRGMMKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2.ClH/c27-18(15-25-14-6-8-17-7-5-13-23(28)24(17)25)16-26-21-11-3-1-9-19(21)20-10-2-4-12-22(20)26;/h1-14,18,27H,15-16H2;1H.
What are the key properties of 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride?
1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride has a molecular weight of 404.90 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-yl-2-hydroxypropyl)quinolin-1-ium-8-ol chloride is sourced from PubChem (CID 2904976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).