3-chloro-6-propoxy-10-propylacridin-9-one;propane

C25H36ClNO2 — CID 143680661

IUPAC3-chloro-6-propoxy-10-propylacridin-9-one;propane
SMILESCCC.CCC.CCCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCC)c2c1
InChIInChI=1S/C19H20ClNO2.2C3H8/c1-3-9-21-17-11-13(20)5-7-15(17)19(22)16-8-6-14(12-18(16)21)23-10-4-2;2*1-3-2/h5-8,11-12H,3-4,9-10H2,1-2H3;2*3H2,1-2H3
InChIKeyFMJRXGHIXCRYMA-UHFFFAOYSA-N
MW418.02 g/mol
LogP7.84
Rot. Bonds5

About 3-chloro-6-propoxy-10-propylacridin-9-one;propane

3-chloro-6-propoxy-10-propylacridin-9-one;propane (PubChem CID 143680661) has the molecular formula C25H36ClNO2 and a molecular weight of 418.02 g/mol. Its IUPAC name is 3-chloro-6-propoxy-10-propylacridin-9-one;propane.

Molecular Properties

Compound Name3-chloro-6-propoxy-10-propylacridin-9-one;propane
PubChem CID143680661
Molecular FormulaC25H36ClNO2
Molecular Weight418.02 g/mol
Exact Mass417.24
IUPAC Name3-chloro-6-propoxy-10-propylacridin-9-one;propane
SMILESCCC.CCC.CCCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCC)c2c1
InChIInChI=1S/C19H20ClNO2.2C3H8/c1-3-9-21-17-11-13(20)5-7-15(17)19(22)16-8-6-14(12-18(16)21)23-10-4-2;2*1-3-2/h5-8,11-12H,3-4,9-10H2,1-2H3;2*3H2,1-2H3
InChIKeyFMJRXGHIXCRYMA-UHFFFAOYSA-N
XLogP7.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.02
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-propoxynaphthalene
CID 125116367
3,6-bis[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propoxy]acridin-9-one;3-[2-(diethylamino)ethoxy]-10H-acridin-9-one;3-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]-6-methylacridin-9-one
CID 159800506
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
CID 57439740
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
CID 24991794
2-chloro-10-(3-phenoxypropyl)acridin-9-one
CID 139792441
2,6-bis[2-(dipropylamino)ethoxy]-10-methylacridin-9-one
CID 57439722
3,7-dibutoxy-1-butyl-4-hydroxyquinolin-2-one
CID 139717526
9-octadecyl-2-octoxycarbazole
CID 15163807
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 59242964

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propoxy-10-propylacridin-9-one;propane?
The IUPAC name of 3-chloro-6-propoxy-10-propylacridin-9-one;propane (CID 143680661) is 3-chloro-6-propoxy-10-propylacridin-9-one;propane.
What is the SMILES notation for 3-chloro-6-propoxy-10-propylacridin-9-one;propane?
The canonical SMILES for 3-chloro-6-propoxy-10-propylacridin-9-one;propane is CCC.CCC.CCCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCC)c2c1.
What is the InChIKey of 3-chloro-6-propoxy-10-propylacridin-9-one;propane?
The InChIKey is FMJRXGHIXCRYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2.2C3H8/c1-3-9-21-17-11-13(20)5-7-15(17)19(22)16-8-6-14(12-18(16)21)23-10-4-2;2*1-3-2/h5-8,11-12H,3-4,9-10H2,1-2H3;2*3H2,1-2H3.
What are the key properties of 3-chloro-6-propoxy-10-propylacridin-9-one;propane?
3-chloro-6-propoxy-10-propylacridin-9-one;propane has a molecular weight of 418.02 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propoxy-10-propylacridin-9-one;propane is sourced from PubChem (CID 143680661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).