N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide

C22H21N3O2 — CID 9247855

IUPACN'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C22H21N3O2/c1-14-10-12-15(13-11-14)21(26)24-25-22(27)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyIZRGYBJNQPOZJH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.50
Rot. Bonds2

About N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide

N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide (PubChem CID 9247855) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
PubChem CID9247855
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C22H21N3O2/c1-14-10-12-15(13-11-14)21(26)24-25-22(27)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyIZRGYBJNQPOZJH-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247846
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239890
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide (CID 9247855) is N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The InChIKey is IZRGYBJNQPOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-10-12-15(13-11-14)21(26)24-25-22(27)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide has a molecular weight of 359.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide is sourced from PubChem (CID 9247855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).