3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one

C24H33N7O2 — CID 650600

IUPAC3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C24H33N7O2/c1-3-33-19-9-10-21-17(15-19)16-20(24(32)25-21)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15-16,18,22H,3-8,11-14H2,1-2H3,(H,25,32)
InChIKeyRMVAFOBUZYIDQF-UHFFFAOYSA-N
MW451.58 g/mol
LogP2.76
Rot. Bonds6

About 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one

3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 650600) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID650600
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C24H33N7O2/c1-3-33-19-9-10-21-17(15-19)16-20(24(32)25-21)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15-16,18,22H,3-8,11-14H2,1-2H3,(H,25,32)
InChIKeyRMVAFOBUZYIDQF-UHFFFAOYSA-N
XLogP2.76
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

Cilostazol
CID 2754
3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one
CID 3195790
6-methoxy-3-[[1-(2-phenylethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 3195792
Asn04421891
CID 3187704
Opc 13013
CID 45358936
3,4-Dehydrocilostazol
CID 10021885
4'-Hydroxycilostazol, trans-
CID 10022985
3-[(Cyclohexyl-methyl-amino)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 644405
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
8-[(1-cyclopentyltetrazol-5-yl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 645675
3-{Azepan-1-yl-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645819
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-6-ethoxy-1H-quinolin-2-one
CID 646133

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one (CID 650600) is 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1.
What is the InChIKey of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is RMVAFOBUZYIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-3-33-19-9-10-21-17(15-19)16-20(24(32)25-21)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15-16,18,22H,3-8,11-14H2,1-2H3,(H,25,32).
What are the key properties of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one?
3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 451.58 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 650600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).