3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one

C24H32N6O — CID 648681

IUPAC3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H32N6O/c1-17-8-7-9-18-14-19(24(31)25-23(17)18)15-29(20-10-3-2-4-11-20)16-22-26-27-28-30(22)21-12-5-6-13-21/h7-9,14,20-21H,2-6,10-13,15-16H2,1H3,(H,25,31)
InChIKeyXNIPTMXZNZHCBF-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.27
Rot. Bonds6

About 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one

3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 648681) 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]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID648681
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H32N6O/c1-17-8-7-9-18-14-19(24(31)25-23(17)18)15-29(20-10-3-2-4-11-20)16-22-26-27-28-30(22)21-12-5-6-13-21/h7-9,14,20-21H,2-6,10-13,15-16H2,1H3,(H,25,31)
InChIKeyXNIPTMXZNZHCBF-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one (CID 648681) is 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is XNIPTMXZNZHCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17-8-7-9-18-14-19(24(31)25-23(17)18)15-29(20-10-3-2-4-11-20)16-22-26-27-28-30(22)21-12-5-6-13-21/h7-9,14,20-21H,2-6,10-13,15-16H2,1H3,(H,25,31).
What are the key properties of 3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-8-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]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 648681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).