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

C24H32N6O — CID 647067

IUPAC3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C24H32N6O/c1-17-11-12-22-18(13-17)14-19(24(31)25-22)15-29(20-7-3-2-4-8-20)16-23-26-27-28-30(23)21-9-5-6-10-21/h11-14,20-21H,2-10,15-16H2,1H3,(H,25,31)
InChIKeyVBSQCNJVSCCPRD-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.27
Rot. Bonds6

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

3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 647067) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID647067
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C24H32N6O/c1-17-11-12-22-18(13-17)14-19(24(31)25-22)15-29(20-7-3-2-4-8-20)16-23-26-27-28-30(23)21-9-5-6-10-21/h11-14,20-21H,2-10,15-16H2,1H3,(H,25,31)
InChIKeyVBSQCNJVSCCPRD-UHFFFAOYSA-N
XLogP4.27
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[cyclopentyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 644452
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-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647382
3-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-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-ylmethyl)-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 648352
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 648363
3-[[[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 649334
6-Ethyl-3-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(4-phenyl-piperazin-1-yl)-methyl]-1H-quinolin-2-one
CID 649350
3-{Azepan-1-yl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6-methyl-1H-quinolin-2-one
CID 649785

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one (CID 647067) is 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1.
What is the InChIKey of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is VBSQCNJVSCCPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17-11-12-22-18(13-17)14-19(24(31)25-22)15-29(20-7-3-2-4-8-20)16-23-26-27-28-30(23)21-9-5-6-10-21/h11-14,20-21H,2-10,15-16H2,1H3,(H,25,31).
What are the key properties of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 420.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 647067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).