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Cilostazol

C20H27N5O2 — CID 2754

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
InChIInChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
InChIKeyRRGUKTPIGVIEKM-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.46
Rot. Bonds7

About Cilostazol

Cilostazol (PubChem CID 2754) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound NameCilostazol
PubChem CID2754
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
InChIInChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
InChIKeyRRGUKTPIGVIEKM-UHFFFAOYSA-N
XLogP3.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one
CID 3195790
Opc 13013
CID 45358936
3,4-Dehydrocilostazol
CID 10021885
4'-Hydroxycilostazol, trans-
CID 10022985
Opc-13326
CID 10045635
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
CID 647004
3-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-ethyl-piperazin-1-yl)-methyl]-6-ethoxy-1H-quinolin-2-one
CID 647311
3-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-propyl-piperazin-1-yl)-methyl]-6-methoxy-1H-quinolin-2-one
CID 647510
3-[(Cyclohexyl-methyl-amino)-(1-cyclopentyl-1H-tetrazol-5-yl)-methyl]-6-methoxy-1H-quinolin-2-one
CID 650383
3-{(3,4-Dihydro-1H-isoquinolin-2-yl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 653403
6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 3176570
6-ethoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
CID 3186361

Frequently Asked Questions

What is the IUPAC name of Cilostazol?
The IUPAC name of Cilostazol (CID 2754) is 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for Cilostazol?
The canonical SMILES for Cilostazol is O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1.
What is the InChIKey of Cilostazol?
The InChIKey is RRGUKTPIGVIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26).
What are the key properties of Cilostazol?
Cilostazol has a molecular weight of 369.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Cilostazol is sourced from PubChem (CID 2754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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