3,4-dihydro-2H-acridin-1-one;dihydrochloride

C13H13Cl2NO — CID 142633980

IUPAC3,4-dihydro-2H-acridin-1-one;dihydrochloride
SMILESCl.Cl.O=C1CCCc2nc3ccccc3cc21
InChIInChI=1S/C13H11NO.2ClH/c15-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12;;/h1-2,4-5,8H,3,6-7H2;2*1H
InChIKeyCRSNSAWTWXNJJB-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.60
Rot. Bonds

About 3,4-dihydro-2H-acridin-1-one;dihydrochloride

3,4-dihydro-2H-acridin-1-one;dihydrochloride (PubChem CID 142633980) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 3,4-dihydro-2H-acridin-1-one;dihydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-acridin-1-one;dihydrochloride
PubChem CID142633980
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name3,4-dihydro-2H-acridin-1-one;dihydrochloride
SMILESCl.Cl.O=C1CCCc2nc3ccccc3cc21
InChIInChI=1S/C13H11NO.2ClH/c15-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12;;/h1-2,4-5,8H,3,6-7H2;2*1H
InChIKeyCRSNSAWTWXNJJB-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-hydroxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 135604529
3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
CID 140981878
7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
CID 82540945
3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one
CID 598071
3-bromo-7,8-dihydro-6H-quinolin-5-one
CID 67510937
5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 142685079
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
CID 67510438
9-(hydroxyamino)-3,4-dihydro-2H-acridin-1-one
CID 54496209
2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride
CID 56777519
6a,7,8,9-tetrahydro-6H-quinolino[2,3-b]quinolin-10-one
CID 170563547
acridine
CID 21226281

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-acridin-1-one;dihydrochloride?
The IUPAC name of 3,4-dihydro-2H-acridin-1-one;dihydrochloride (CID 142633980) is 3,4-dihydro-2H-acridin-1-one;dihydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-acridin-1-one;dihydrochloride?
The canonical SMILES for 3,4-dihydro-2H-acridin-1-one;dihydrochloride is Cl.Cl.O=C1CCCc2nc3ccccc3cc21.
What is the InChIKey of 3,4-dihydro-2H-acridin-1-one;dihydrochloride?
The InChIKey is CRSNSAWTWXNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.2ClH/c15-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12;;/h1-2,4-5,8H,3,6-7H2;2*1H.
What are the key properties of 3,4-dihydro-2H-acridin-1-one;dihydrochloride?
3,4-dihydro-2H-acridin-1-one;dihydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-acridin-1-one;dihydrochloride is sourced from PubChem (CID 142633980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).