11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride

C22H16Cl2N2 — CID 10595862

IUPAC11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESC[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(-c4ccccc4)cc3c21.[Cl-]
InChIInChI=1S/C22H15ClN2.ClH/c1-25-19-10-6-5-9-16(19)20(23)21-22(25)17-13-15(11-12-18(17)24-21)14-7-3-2-4-8-14;/h2-13H,1H3;1H
InChIKeyBXNYGGQPVPLGCK-UHFFFAOYSA-N
MW379.29 g/mol
LogP2.62
Rot. Bonds1

About 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride

11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride (PubChem CID 10595862) has the molecular formula C22H16Cl2N2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride.

Molecular Properties

Compound Name11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride
PubChem CID10595862
Molecular FormulaC22H16Cl2N2
Molecular Weight379.29 g/mol
Exact Mass378.07
IUPAC Name11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride
SMILESC[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(-c4ccccc4)cc3c21.[Cl-]
InChIInChI=1S/C22H15ClN2.ClH/c1-25-19-10-6-5-9-16(19)20(23)21-22(25)17-13-15(11-12-18(17)24-21)14-7-3-2-4-8-14;/h2-13H,1H3;1H
InChIKeyBXNYGGQPVPLGCK-UHFFFAOYSA-N
XLogP2.62
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The IUPAC name of 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride (CID 10595862) is 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride.
What is the SMILES notation for 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The canonical SMILES for 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride is C[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(-c4ccccc4)cc3c21.[Cl-].
What is the InChIKey of 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
The InChIKey is BXNYGGQPVPLGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2.ClH/c1-25-19-10-6-5-9-16(19)20(23)21-22(25)17-13-15(11-12-18(17)24-21)14-7-3-2-4-8-14;/h2-13H,1H3;1H.
What are the key properties of 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride?
11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride has a molecular weight of 379.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride is sourced from PubChem (CID 10595862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).