3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one

C23H32N6O2 — CID 647611

IUPAC3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C23H32N6O2/c1-5-23(2,3)29-21(25-26-27-29)15-28(18-8-6-7-9-18)14-17-12-16-13-19(31-4)10-11-20(16)24-22(17)30/h10-13,18H,5-9,14-15H2,1-4H3,(H,24,30)
InChIKeyJHEUUNWHIUQEPS-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.61
Rot. Bonds8

About 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one

3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 647611) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID647611
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C23H32N6O2/c1-5-23(2,3)29-21(25-26-27-29)15-28(18-8-6-7-9-18)14-17-12-16-13-19(31-4)10-11-20(16)24-22(17)30/h10-13,18H,5-9,14-15H2,1-4H3,(H,24,30)
InChIKeyJHEUUNWHIUQEPS-UHFFFAOYSA-N
XLogP3.61
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one (CID 647611) is 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one is CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is JHEUUNWHIUQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-5-23(2,3)29-21(25-26-27-29)15-28(18-8-6-7-9-18)14-17-12-16-13-19(31-4)10-11-20(16)24-22(17)30/h10-13,18H,5-9,14-15H2,1-4H3,(H,24,30).
What are the key properties of 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one?
3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 424.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 647611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).