3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one

C28H33N7O2 — CID 647828

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOc1ccccc1N1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)
InChIKeyAMMRMSUGAMFLLR-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.86
Rot. Bonds6

About 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 647828) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID647828
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOc1ccccc1N1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)
InChIKeyAMMRMSUGAMFLLR-UHFFFAOYSA-N
XLogP3.86
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one with MolForge

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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
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
6-Ethyl-3-({(4-methoxy-benzyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-1H-quinolin-2-one
CID 645419
3-{Azepan-1-yl-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645819
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-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
CID 647557
3-({Cyclopentyl-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-6-methoxy-1H-quinolin-2-one
CID 647611
6-Ethyl-3-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-morpholin-4-yl-methyl}-1H-quinolin-2-one
CID 647792
3-({Benzyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-6-methoxy-1H-quinolin-2-one
CID 648431

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one (CID 647828) is 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one is COc1ccccc1N1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is AMMRMSUGAMFLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 499.62 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 647828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).