1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one

C22H27ClN2O3 — CID 155535942

IUPAC1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)cc(OC)cc3[nH]c2c1
InChIInChI=1S/C22H27ClN2O3/c1-4-8-25(9-5-2)10-11-28-15-6-7-17-19(13-15)24-20-14-16(27-3)12-18(23)21(20)22(17)26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,26)
InChIKeyYDDJESGDAOORQG-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.84
Rot. Bonds9

About 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one

1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one (PubChem CID 155535942) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one
PubChem CID155535942
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)cc(OC)cc3[nH]c2c1
InChIInChI=1S/C22H27ClN2O3/c1-4-8-25(9-5-2)10-11-28-15-6-7-17-19(13-15)24-20-14-16(27-3)12-18(23)21(20)22(17)26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,26)
InChIKeyYDDJESGDAOORQG-UHFFFAOYSA-N
XLogP4.84
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one?
The IUPAC name of 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one (CID 155535942) is 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one.
What is the SMILES notation for 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one?
The canonical SMILES for 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)cc(OC)cc3[nH]c2c1.
What is the InChIKey of 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one?
The InChIKey is YDDJESGDAOORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-4-8-25(9-5-2)10-11-28-15-6-7-17-19(13-15)24-20-14-16(27-3)12-18(23)21(20)22(17)26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,26).
What are the key properties of 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one?
1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one has a molecular weight of 402.92 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-[2-(dipropylamino)ethoxy]-3-methoxy-10H-acridin-9-one is sourced from PubChem (CID 155535942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).