6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one

C17H21N3O2 — CID 97134850

IUPAC6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN[C@@H]3CCCNC3=O)cc(=O)c2c1
InChIInChI=1S/C17H21N3O2/c1-10-6-11(2)16-13(7-10)15(21)8-12(20-16)9-19-14-4-3-5-18-17(14)22/h6-8,14,19H,3-5,9H2,1-2H3,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyAMXHINHJEGJJBW-CQSZACIVSA-N
MW299.37 g/mol
LogP1.51
Rot. Bonds3

About 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one

6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one (PubChem CID 97134850) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one
PubChem CID97134850
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN[C@@H]3CCCNC3=O)cc(=O)c2c1
InChIInChI=1S/C17H21N3O2/c1-10-6-11(2)16-13(7-10)15(21)8-12(20-16)9-19-14-4-3-5-18-17(14)22/h6-8,14,19H,3-5,9H2,1-2H3,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyAMXHINHJEGJJBW-CQSZACIVSA-N
XLogP1.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one (CID 97134850) is 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(CN[C@@H]3CCCNC3=O)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is AMXHINHJEGJJBW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-6-11(2)16-13(7-10)15(21)8-12(20-16)9-19-14-4-3-5-18-17(14)22/h6-8,14,19H,3-5,9H2,1-2H3,(H,18,22)(H,20,21)/t14-/m1/s1.
What are the key properties of 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one?
6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 299.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[[[(3R)-2-oxopiperidin-3-yl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).