7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide

C17H21N3O — CID 82450585

IUPAC7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCC(C)c1ccc2nc3c(c(C(=O)NN)c2c1)CCCC3
InChIInChI=1S/C17H21N3O/c1-10(2)11-7-8-15-13(9-11)16(17(21)20-18)12-5-3-4-6-14(12)19-15/h7-10H,3-6,18H2,1-2H3,(H,20,21)
InChIKeyUJJAEHUSLPNWNO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.84
Rot. Bonds2

About 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide

7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide (PubChem CID 82450585) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide.

Molecular Properties

Compound Name7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
PubChem CID82450585
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCC(C)c1ccc2nc3c(c(C(=O)NN)c2c1)CCCC3
InChIInChI=1S/C17H21N3O/c1-10(2)11-7-8-15-13(9-11)16(17(21)20-18)12-5-3-4-6-14(12)19-15/h7-10H,3-6,18H2,1-2H3,(H,20,21)
InChIKeyUJJAEHUSLPNWNO-UHFFFAOYSA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
CID 82450571
(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889985
N-butan-2-yl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 53016227
2-methyl-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-1-amine
CID 82450539
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
2-methoxy-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450542
7-chloro-N-(2-propan-2-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786414
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide (CID 82450585) is 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide.
What is the SMILES notation for 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The canonical SMILES for 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide is CC(C)c1ccc2nc3c(c(C(=O)NN)c2c1)CCCC3.
What is the InChIKey of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The InChIKey is UJJAEHUSLPNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10(2)11-7-8-15-13(9-11)16(17(21)20-18)12-5-3-4-6-14(12)19-15/h7-10H,3-6,18H2,1-2H3,(H,20,21).
What are the key properties of 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide has a molecular weight of 283.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide is sourced from PubChem (CID 82450585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).