2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide

C33H30ClN3O2 — CID 139914686

IUPAC2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide
SMILESO=C(NNc1ccccc1)C(c1ccc(Cn2c3ccccc3c(=O)c3cc(Cl)ccc32)cc1)C1CCCC1
InChIInChI=1S/C33H30ClN3O2/c34-25-18-19-30-28(20-25)32(38)27-12-6-7-13-29(27)37(30)21-22-14-16-24(17-15-22)31(23-8-4-5-9-23)33(39)36-35-26-10-2-1-3-11-26/h1-3,6-7,10-20,23,31,35H,4-5,8-9,21H2,(H,36,39)
InChIKeyHUSFHZIFXNBSMS-UHFFFAOYSA-N
MW536.08 g/mol
LogP7.27
Rot. Bonds7

About 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide

2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide (PubChem CID 139914686) has the molecular formula C33H30ClN3O2 and a molecular weight of 536.08 g/mol. Its IUPAC name is 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide
PubChem CID139914686
Molecular FormulaC33H30ClN3O2
Molecular Weight536.08 g/mol
Exact Mass535.20
IUPAC Name2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide
SMILESO=C(NNc1ccccc1)C(c1ccc(Cn2c3ccccc3c(=O)c3cc(Cl)ccc32)cc1)C1CCCC1
InChIInChI=1S/C33H30ClN3O2/c34-25-18-19-30-28(20-25)32(38)27-12-6-7-13-29(27)37(30)21-22-14-16-24(17-15-22)31(23-8-4-5-9-23)33(39)36-35-26-10-2-1-3-11-26/h1-3,6-7,10-20,23,31,35H,4-5,8-9,21H2,(H,36,39)
InChIKeyHUSFHZIFXNBSMS-UHFFFAOYSA-N
XLogP7.27
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.08
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide
CID 20662692
3-[[2-[4-[[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]methyl]phenyl]-2-cyclopentylacetyl]amino]benzoic acid
CID 58136730
2-cycloheptyl-2-[4-[(2,3-dimethylindol-1-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 54565773
carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 68752735
(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
CID 10279530
2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
(2S)-2-cyclopentyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-(1-phenylethenyl)acetamide
CID 59942167
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
CID 174698422
(2S)-2-cyclohexyl-2-[4-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 10119877
3-[5-[[2-cyclopentyl-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetyl]amino]-2-fluorophenyl]propanoic acid
CID 58136543

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide?
The IUPAC name of 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide (CID 139914686) is 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide.
What is the SMILES notation for 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide?
The canonical SMILES for 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide is O=C(NNc1ccccc1)C(c1ccc(Cn2c3ccccc3c(=O)c3cc(Cl)ccc32)cc1)C1CCCC1.
What is the InChIKey of 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide?
The InChIKey is HUSFHZIFXNBSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN3O2/c34-25-18-19-30-28(20-25)32(38)27-12-6-7-13-29(27)37(30)21-22-14-16-24(17-15-22)31(23-8-4-5-9-23)33(39)36-35-26-10-2-1-3-11-26/h1-3,6-7,10-20,23,31,35H,4-5,8-9,21H2,(H,36,39).
What are the key properties of 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide?
2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide has a molecular weight of 536.08 g/mol, XLogP of 7.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide is sourced from PubChem (CID 139914686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).