3-(3-carboxypropoxy)acridine-9-carboxylic acid

C18H15NO5 — CID 15288359

IUPAC3-(3-carboxypropoxy)acridine-9-carboxylic acid
SMILESO=C(O)CCCOc1ccc2c(C(=O)O)c3ccccc3nc2c1
InChIInChI=1S/C18H15NO5/c20-16(21)6-3-9-24-11-7-8-13-15(10-11)19-14-5-2-1-4-12(14)17(13)18(22)23/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)(H,22,23)
InChIKeyNUTREAPKSXDBEL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.33
Rot. Bonds6

About 3-(3-carboxypropoxy)acridine-9-carboxylic acid

3-(3-carboxypropoxy)acridine-9-carboxylic acid (PubChem CID 15288359) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-(3-carboxypropoxy)acridine-9-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxypropoxy)acridine-9-carboxylic acid
PubChem CID15288359
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3-(3-carboxypropoxy)acridine-9-carboxylic acid
SMILESO=C(O)CCCOc1ccc2c(C(=O)O)c3ccccc3nc2c1
InChIInChI=1S/C18H15NO5/c20-16(21)6-3-9-24-11-7-8-13-15(10-11)19-14-5-2-1-4-12(14)17(13)18(22)23/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)(H,22,23)
InChIKeyNUTREAPKSXDBEL-UHFFFAOYSA-N
XLogP3.33
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
CID 22071081
3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid
CID 22114771
4-[4-(4-methylquinolin-2-yl)phenoxy]butanoic acid
CID 17466697
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
2-phenazin-2-yloxyacetic acid
CID 97034009
2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
CID 59283816
4-[[18-(3-carboxypropoxy)-13,26-dioxo-5-heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2,4,6,8,10(28),11,14,16(21),17,19,22,24-tridecaenyl]oxy]butanoic acid
CID 100913585
4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)oxy]butanoic acid
CID 117098155
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoic acid
CID 19849120
4-[(2-methyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816240

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxypropoxy)acridine-9-carboxylic acid?
The IUPAC name of 3-(3-carboxypropoxy)acridine-9-carboxylic acid (CID 15288359) is 3-(3-carboxypropoxy)acridine-9-carboxylic acid.
What is the SMILES notation for 3-(3-carboxypropoxy)acridine-9-carboxylic acid?
The canonical SMILES for 3-(3-carboxypropoxy)acridine-9-carboxylic acid is O=C(O)CCCOc1ccc2c(C(=O)O)c3ccccc3nc2c1.
What is the InChIKey of 3-(3-carboxypropoxy)acridine-9-carboxylic acid?
The InChIKey is NUTREAPKSXDBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c20-16(21)6-3-9-24-11-7-8-13-15(10-11)19-14-5-2-1-4-12(14)17(13)18(22)23/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)(H,22,23).
What are the key properties of 3-(3-carboxypropoxy)acridine-9-carboxylic acid?
3-(3-carboxypropoxy)acridine-9-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxypropoxy)acridine-9-carboxylic acid is sourced from PubChem (CID 15288359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).