2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide

C17H17ClN4O2 — CID 14162077

IUPAC2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NNC(=O)C(C)N)c2c1
InChIInChI=1S/C17H17ClN4O2/c1-9(19)17(23)22-21-16-12-5-3-10(18)7-15(12)20-14-6-4-11(24-2)8-13(14)16/h3-9H,19H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKBJNUKCLBQGFTH-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.84
Rot. Bonds4

About 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide

2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide (PubChem CID 14162077) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide.

Molecular Properties

Compound Name2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide
PubChem CID14162077
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NNC(=O)C(C)N)c2c1
InChIInChI=1S/C17H17ClN4O2/c1-9(19)17(23)22-21-16-12-5-3-10(18)7-15(12)20-14-6-4-11(24-2)8-13(14)16/h3-9H,19H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKBJNUKCLBQGFTH-UHFFFAOYSA-N
XLogP2.84
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
6-chloro-9-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]acridin-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 21198481
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
CID 10393752
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821083
N-(5-aminopentyl)-12-[(6-chloro-2-methoxyacridin-9-yl)amino]dodecanamide
CID 11513031
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
CID 155402944
6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine
CID 20753270

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide?
The IUPAC name of 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide (CID 14162077) is 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide.
What is the SMILES notation for 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide?
The canonical SMILES for 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide is COc1ccc2nc3cc(Cl)ccc3c(NNC(=O)C(C)N)c2c1.
What is the InChIKey of 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide?
The InChIKey is KBJNUKCLBQGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-9(19)17(23)22-21-16-12-5-3-10(18)7-15(12)20-14-6-4-11(24-2)8-13(14)16/h3-9H,19H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide?
2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide has a molecular weight of 344.80 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide is sourced from PubChem (CID 14162077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).