(4-chlorophenyl) acridine-9-carboxylate

C20H12ClNO2 — CID 609870

IUPAC(4-chlorophenyl) acridine-9-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H12ClNO2/c21-13-9-11-14(12-10-13)24-20(23)19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H
InChIKeyNCBDANHUNSGLMT-UHFFFAOYSA-N
MW333.77 g/mol
LogP5.26
Rot. Bonds2

About (4-chlorophenyl) acridine-9-carboxylate

(4-chlorophenyl) acridine-9-carboxylate (PubChem CID 609870) has the molecular formula C20H12ClNO2 and a molecular weight of 333.77 g/mol. Its IUPAC name is (4-chlorophenyl) acridine-9-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) acridine-9-carboxylate
PubChem CID609870
Molecular FormulaC20H12ClNO2
Molecular Weight333.77 g/mol
Exact Mass333.06
IUPAC Name(4-chlorophenyl) acridine-9-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H12ClNO2/c21-13-9-11-14(12-10-13)24-20(23)19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H
InChIKeyNCBDANHUNSGLMT-UHFFFAOYSA-N
XLogP5.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.77
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2-aminoethoxy)ethoxy]phenyl] acridine-9-carboxylate
CID 21267469
(4-chlorophenyl) 10-methylacridin-10-ium-9-carboxylate
CID 4090268
[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl] acridine-9-carboxylate
CID 88632344
methyl acridine-9-carboxylate
CID 21211
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
(4-phenylphenyl) 2,4,6-trichloropyrimidine-5-carboxylate
CID 71411971
[4-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanyl]phenyl] acridine-9-carboxylate
CID 59928962
(4-carbamoylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 75401713
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
acridin-9-yl hydrogen carbonate
CID 54493221
(4-chlorophenyl) 3-methyl-4-oxophthalazine-1-carboxylate
CID 2667172

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) acridine-9-carboxylate?
The IUPAC name of (4-chlorophenyl) acridine-9-carboxylate (CID 609870) is (4-chlorophenyl) acridine-9-carboxylate.
What is the SMILES notation for (4-chlorophenyl) acridine-9-carboxylate?
The canonical SMILES for (4-chlorophenyl) acridine-9-carboxylate is O=C(Oc1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12.
What is the InChIKey of (4-chlorophenyl) acridine-9-carboxylate?
The InChIKey is NCBDANHUNSGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2/c21-13-9-11-14(12-10-13)24-20(23)19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H.
What are the key properties of (4-chlorophenyl) acridine-9-carboxylate?
(4-chlorophenyl) acridine-9-carboxylate has a molecular weight of 333.77 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) acridine-9-carboxylate is sourced from PubChem (CID 609870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).