3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

C24H27N7O — CID 647547

IUPAC3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12
InChIInChI=1S/C24H27N7O/c1-17-7-6-10-19-15-20(24(32)25-21(17)19)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)16-18-8-4-3-5-9-18/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,32)
InChIKeyRMYLYRWYGPEVCL-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.21
Rot. Bonds5

About 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 647547) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
PubChem CID647547
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12
InChIInChI=1S/C24H27N7O/c1-17-7-6-10-19-15-20(24(32)25-21(17)19)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)16-18-8-4-3-5-9-18/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,32)
InChIKeyRMYLYRWYGPEVCL-UHFFFAOYSA-N
XLogP2.21
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 644452
3-{(3,4-Dihydro-2H-quinolin-1-yl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-6-ethyl-1H-quinolin-2-one
CID 645431
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-morpholin-4-yl-methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 646526
GlyTouCan:G74680ZU
CID 646618
6-Methyl-3-{morpholin-4-yl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-1H-quinolin-2-one
CID 646659
3-{[4-(2-Fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 646864
3-{[Cyclohexyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647067
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647382
6-Ethyl-3-{[4-(4-fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1H-quinolin-2-one
CID 647600
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-ethyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647943
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 648363
6-Ethyl-3-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(4-phenyl-piperazin-1-yl)-methyl]-1H-quinolin-2-one
CID 649350

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (CID 647547) is 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12.
What is the InChIKey of 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is RMYLYRWYGPEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17-7-6-10-19-15-20(24(32)25-21(17)19)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)16-18-8-4-3-5-9-18/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,32).
What are the key properties of 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 429.53 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 647547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).