1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one

C19H18Cl2N2O3 — CID 155537258

IUPAC1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one
SMILESO=c1c2ccc(OCCN3CCOCC3)cc2[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C19H18Cl2N2O3/c20-14-3-4-15-17(18(14)21)19(24)13-2-1-12(11-16(13)22-15)26-10-7-23-5-8-25-9-6-23/h1-4,11H,5-10H2,(H,22,24)
InChIKeyPXMQBGCGHFSUEE-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.70
Rot. Bonds4

About 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one

1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one (PubChem CID 155537258) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one.

Molecular Properties

Compound Name1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one
PubChem CID155537258
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one
SMILESO=c1c2ccc(OCCN3CCOCC3)cc2[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C19H18Cl2N2O3/c20-14-3-4-15-17(18(14)21)19(24)13-2-1-12(11-16(13)22-15)26-10-7-23-5-8-25-9-6-23/h1-4,11H,5-10H2,(H,22,24)
InChIKeyPXMQBGCGHFSUEE-UHFFFAOYSA-N
XLogP3.70
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.70
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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Related Compounds

1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one
CID 155510931
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
CID 11406725
3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135448262
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
CID 59587703
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
4-[2-(2,3-dihydro-1H-isoindol-5-yloxy)ethyl]morpholine
CID 66657088
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one?
The IUPAC name of 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one (CID 155537258) is 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one.
What is the SMILES notation for 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one?
The canonical SMILES for 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one is O=c1c2ccc(OCCN3CCOCC3)cc2[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one?
The InChIKey is PXMQBGCGHFSUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-14-3-4-15-17(18(14)21)19(24)13-2-1-12(11-16(13)22-15)26-10-7-23-5-8-25-9-6-23/h1-4,11H,5-10H2,(H,22,24).
What are the key properties of 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one?
1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one has a molecular weight of 393.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one is sourced from PubChem (CID 155537258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).