10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one

C23H17ClN4O — CID 118732409

IUPAC10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one
SMILESO=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccc(Cl)cc12
InChIInChI=1S/C23H17ClN4O/c24-17-10-11-22-20(12-17)23(29)19-8-4-5-9-21(19)28(22)15-18-14-27(26-25-18)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2
InChIKeyWVVHZEXMIBRDPT-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.50
Rot. Bonds4

About 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one

10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one (PubChem CID 118732409) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one.

Molecular Properties

Compound Name10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one
PubChem CID118732409
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one
SMILESO=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccc(Cl)cc12
InChIInChI=1S/C23H17ClN4O/c24-17-10-11-22-20(12-17)23(29)19-8-4-5-9-21(19)28(22)15-18-14-27(26-25-18)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2
InChIKeyWVVHZEXMIBRDPT-UHFFFAOYSA-N
XLogP4.50
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone
CID 1480020
3-(1-(4-chlorophenyl)-1H-tetrazol-5-yl)-1-phenylpropan-1-one
CID 46890281
1-(3-chlorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one
CID 46890424
Methyl-1H-[1,2,3]triazole-4-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
CID 71217351
Benzyl-1H-[1,2,3]triazole-4-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
CID 71217353
5-chloro-1-[[1-[(3S,4R)-2-oxo-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-3-yl]triazol-4-yl]methyl]indole-2,3-dione
CID 72197507
1-[[1-[(3S,4R)-1-(4-chlorophenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]triazol-4-yl]methyl]indole-2,3-dione
CID 72197510
5-chloro-1-[[1-[(3S,4R)-1-(4-chlorophenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]triazol-4-yl]methyl]indole-2,3-dione
CID 72197511
(E)-1-[3-[4-(3-chlorophenyl)triazol-1-yl]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one
CID 118707708
2-[N-[(1-benzyltriazol-4-yl)methyl]-4-chloroanilino]naphthalene-1,4-dione
CID 118713708
2-[N-[(1-benzyltriazol-4-yl)methyl]-2,4-dichloroanilino]naphthalene-1,4-dione
CID 118713711
2-[4-[(4-chloro-N-(1,4-dioxonaphthalen-2-yl)anilino)methyl]triazol-1-yl]naphthalene-1,4-dione
CID 118713717

Frequently Asked Questions

What is the IUPAC name of 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one?
The IUPAC name of 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one (CID 118732409) is 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one.
What is the SMILES notation for 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one?
The canonical SMILES for 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one is O=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccc(Cl)cc12.
What is the InChIKey of 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one?
The InChIKey is WVVHZEXMIBRDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c24-17-10-11-22-20(12-17)23(29)19-8-4-5-9-21(19)28(22)15-18-14-27(26-25-18)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2.
What are the key properties of 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one?
10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one has a molecular weight of 400.87 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-benzyltriazol-4-yl)methyl]-2-chloroacridin-9-one is sourced from PubChem (CID 118732409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).