9-chloro-10-propan-2-ylacridin-10-ium

C16H15ClN+ — CID 90900472

IUPAC9-chloro-10-propan-2-ylacridin-10-ium
SMILESCC(C)[n+]1c2ccccc2c(Cl)c2ccccc21
InChIInChI=1S/C16H15ClN/c1-11(2)18-14-9-5-3-7-12(14)16(17)13-8-4-6-10-15(13)18/h3-11H,1-2H3/q+1
InChIKeyLOUGJKWCCOBKCZ-UHFFFAOYSA-N
MW256.76 g/mol
LogP4.51
Rot. Bonds1

About 9-chloro-10-propan-2-ylacridin-10-ium

9-chloro-10-propan-2-ylacridin-10-ium (PubChem CID 90900472) has the molecular formula C16H15ClN+ and a molecular weight of 256.76 g/mol. Its IUPAC name is 9-chloro-10-propan-2-ylacridin-10-ium.

Molecular Properties

Compound Name9-chloro-10-propan-2-ylacridin-10-ium
PubChem CID90900472
Molecular FormulaC16H15ClN+
Molecular Weight256.76 g/mol
Exact Mass256.09
IUPAC Name9-chloro-10-propan-2-ylacridin-10-ium
SMILESCC(C)[n+]1c2ccccc2c(Cl)c2ccccc21
InChIInChI=1S/C16H15ClN/c1-11(2)18-14-9-5-3-7-12(14)16(17)13-8-4-6-10-15(13)18/h3-11H,1-2H3/q+1
InChIKeyLOUGJKWCCOBKCZ-UHFFFAOYSA-N
XLogP4.51
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

10-propan-2-ylacridin-10-ium
CID 101440636
1-propan-2-ylquinolin-1-ium-3,4-diol
CID 140636937
9-chloro-10-ethylanthracene
CID 23018360
1-chloro-2-propan-2-ylnaphthalene
CID 59606760
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
CID 170891762
5,12-dichlorotetracene
CID 87498157
2-[4-[2-(9-chloroacridin-10-ium-10-yl)ethyl]piperazin-1-yl]-N,N-diethylethanamine
CID 88655025
2-chloro-9,10-di(propan-2-yloxy)anthracene
CID 139930221
1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene
CID 155647803
9,10-dichloro-1,2,3,4-tetramethylanthracene
CID 139963495
4-chloro-1,2-dimethylquinolin-1-ium;sulfuric acid
CID 70632360

Frequently Asked Questions

What is the IUPAC name of 9-chloro-10-propan-2-ylacridin-10-ium?
The IUPAC name of 9-chloro-10-propan-2-ylacridin-10-ium (CID 90900472) is 9-chloro-10-propan-2-ylacridin-10-ium.
What is the SMILES notation for 9-chloro-10-propan-2-ylacridin-10-ium?
The canonical SMILES for 9-chloro-10-propan-2-ylacridin-10-ium is CC(C)[n+]1c2ccccc2c(Cl)c2ccccc21.
What is the InChIKey of 9-chloro-10-propan-2-ylacridin-10-ium?
The InChIKey is LOUGJKWCCOBKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN/c1-11(2)18-14-9-5-3-7-12(14)16(17)13-8-4-6-10-15(13)18/h3-11H,1-2H3/q+1.
What are the key properties of 9-chloro-10-propan-2-ylacridin-10-ium?
9-chloro-10-propan-2-ylacridin-10-ium has a molecular weight of 256.76 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10-propan-2-ylacridin-10-ium is sourced from PubChem (CID 90900472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).