3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

C23H30N6O — CID 3175118

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C23H30N6O/c1-15-9-11-28(12-10-15)21(22-25-26-27-29(22)18-5-3-4-6-18)19-14-17-13-16(2)7-8-20(17)24-23(19)30/h7-8,13-15,18,21H,3-6,9-12H2,1-2H3,(H,24,30)
InChIKeyCQSBGWQJGGPHDT-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.76
Rot. Bonds4

About 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3175118) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3175118
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C23H30N6O/c1-15-9-11-28(12-10-15)21(22-25-26-27-29(22)18-5-3-4-6-18)19-14-17-13-16(2)7-8-20(17)24-23(19)30/h7-8,13-15,18,21H,3-6,9-12H2,1-2H3,(H,24,30)
InChIKeyCQSBGWQJGGPHDT-UHFFFAOYSA-N
XLogP3.76
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-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
6,8-dimethyl-3-[(3-methyl-1-piperidinyl)-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-1H-quinolin-2-one
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
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647547
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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 3175118) is 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is CQSBGWQJGGPHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15-9-11-28(12-10-15)21(22-25-26-27-29(22)18-5-3-4-6-18)19-14-17-13-16(2)7-8-20(17)24-23(19)30/h7-8,13-15,18,21H,3-6,9-12H2,1-2H3,(H,24,30).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).