N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide

C20H19N3O — CID 21203873

IUPACN'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESO=C(NNc1ccccc1)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H19N3O/c24-20(23-22-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-4,6,8-10,12,22H,5,7,11,13H2,(H,23,24)
InChIKeyBWQOTYJHBNPKAB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.87
Rot. Bonds3

About N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide

N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide (PubChem CID 21203873) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide.

Molecular Properties

Compound NameN'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
PubChem CID21203873
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESO=C(NNc1ccccc1)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H19N3O/c24-20(23-22-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-4,6,8-10,12,22H,5,7,11,13H2,(H,23,24)
InChIKeyBWQOTYJHBNPKAB-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.87
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'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide
CID 21205834
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
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
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247846
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The IUPAC name of N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide (CID 21203873) is N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide.
What is the SMILES notation for N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The canonical SMILES for N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide is O=C(NNc1ccccc1)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The InChIKey is BWQOTYJHBNPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(23-22-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-4,6,8-10,12,22H,5,7,11,13H2,(H,23,24).
What are the key properties of N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide has a molecular weight of 317.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide is sourced from PubChem (CID 21203873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).