2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid

C22H25N3O4 — CID 66853989

IUPAC2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)CCCCCn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C22H25N3O4/c26-20(23-13-14-24-22(28)29)12-2-1-7-15-25-18-10-5-3-8-16(18)21(27)17-9-4-6-11-19(17)25/h3-6,8-11,24H,1-2,7,12-15H2,(H,23,26)(H,28,29)
InChIKeyZAKSSNFBYFMSTA-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.10
Rot. Bonds9

About 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid

2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid (PubChem CID 66853989) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
PubChem CID66853989
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)CCCCCn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C22H25N3O4/c26-20(23-13-14-24-22(28)29)12-2-1-7-15-25-18-10-5-3-8-16(18)21(27)17-9-4-6-11-19(17)25/h3-6,8-11,24H,1-2,7,12-15H2,(H,23,26)(H,28,29)
InChIKeyZAKSSNFBYFMSTA-UHFFFAOYSA-N
XLogP3.10
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
CID 15994556
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
10-(6-chlorohexyl)acridin-9-one
CID 44566069
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 15538503
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid?
The IUPAC name of 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid (CID 66853989) is 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid?
The canonical SMILES for 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid is O=C(O)NCCNC(=O)CCCCCn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid?
The InChIKey is ZAKSSNFBYFMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20(23-13-14-24-22(28)29)12-2-1-7-15-25-18-10-5-3-8-16(18)21(27)17-9-4-6-11-19(17)25/h3-6,8-11,24H,1-2,7,12-15H2,(H,23,26)(H,28,29).
What are the key properties of 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid?
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid has a molecular weight of 395.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid is sourced from PubChem (CID 66853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).