4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one

C18H23NO — CID 4037122

IUPAC4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCCCCCC1CCCc2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20)
InChIKeyBLBSNYYRLAWWDS-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.53
Rot. Bonds4

About 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one

4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 4037122) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID4037122
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCCCCCC1CCCc2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20)
InChIKeyBLBSNYYRLAWWDS-UHFFFAOYSA-N
XLogP4.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2'-Aminoacetophenone
CID 11086
4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
N-Methylacridone
CID 69751
2-Phenyl-4-oxohydroquinoline
CID 161091
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Heptyl-3-hydroxy-4-quinolone
CID 2763159
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
Aurachin D
CID 6124753

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 4037122) is 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one is CCCCCC1CCCc2c1[nH]c1ccccc1c2=O.
What is the InChIKey of 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is BLBSNYYRLAWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20).
What are the key properties of 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 269.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 4037122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).