1-chloro-5-methylacridine

C14H10ClN — CID 150979007

IUPAC1-chloro-5-methylacridine
SMILESCc1cccc2cc3c(Cl)cccc3nc12
InChIInChI=1S/C14H10ClN/c1-9-4-2-5-10-8-11-12(15)6-3-7-13(11)16-14(9)10/h2-8H,1H3
InChIKeyLPRSGMGVTRENHR-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.35
Rot. Bonds

About 1-chloro-5-methylacridine

1-chloro-5-methylacridine (PubChem CID 150979007) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-chloro-5-methylacridine.

Molecular Properties

Compound Name1-chloro-5-methylacridine
PubChem CID150979007
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name1-chloro-5-methylacridine
SMILESCc1cccc2cc3c(Cl)cccc3nc12
InChIInChI=1S/C14H10ClN/c1-9-4-2-5-10-8-11-12(15)6-3-7-13(11)16-14(9)10/h2-8H,1H3
InChIKeyLPRSGMGVTRENHR-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methylacridine?
The IUPAC name of 1-chloro-5-methylacridine (CID 150979007) is 1-chloro-5-methylacridine.
What is the SMILES notation for 1-chloro-5-methylacridine?
The canonical SMILES for 1-chloro-5-methylacridine is Cc1cccc2cc3c(Cl)cccc3nc12.
What is the InChIKey of 1-chloro-5-methylacridine?
The InChIKey is LPRSGMGVTRENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c1-9-4-2-5-10-8-11-12(15)6-3-7-13(11)16-14(9)10/h2-8H,1H3.
What are the key properties of 1-chloro-5-methylacridine?
1-chloro-5-methylacridine has a molecular weight of 227.69 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methylacridine is sourced from PubChem (CID 150979007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).