2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide

C23H24N6O2 — CID 170582817

IUPAC2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide
SMILESCN1C[C@H](n2c(CC(=O)NCC3CC3)nc3cnc4ccc(C#N)cc4c32)CCC1=O
InChIInChI=1S/C23H24N6O2/c1-28-13-16(5-7-22(28)31)29-20(9-21(30)26-11-14-2-3-14)27-19-12-25-18-6-4-15(10-24)8-17(18)23(19)29/h4,6,8,12,14,16H,2-3,5,7,9,11,13H2,1H3,(H,26,30)/t16-/m1/s1
InChIKeyYBYWXNLFOFYPHL-MRXNPFEDSA-N
MW416.49 g/mol
LogP2.32
Rot. Bonds5

About 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide

2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 170582817) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID170582817
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide
SMILESCN1C[C@H](n2c(CC(=O)NCC3CC3)nc3cnc4ccc(C#N)cc4c32)CCC1=O
InChIInChI=1S/C23H24N6O2/c1-28-13-16(5-7-22(28)31)29-20(9-21(30)26-11-14-2-3-14)27-19-12-25-18-6-4-15(10-24)8-17(18)23(19)29/h4,6,8,12,14,16H,2-3,5,7,9,11,13H2,1H3,(H,26,30)/t16-/m1/s1
InChIKeyYBYWXNLFOFYPHL-MRXNPFEDSA-N
XLogP2.32
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide (CID 170582817) is 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide is CN1C[C@H](n2c(CC(=O)NCC3CC3)nc3cnc4ccc(C#N)cc4c32)CCC1=O.
What is the InChIKey of 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is YBYWXNLFOFYPHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28-13-16(5-7-22(28)31)29-20(9-21(30)26-11-14-2-3-14)27-19-12-25-18-6-4-15(10-24)8-17(18)23(19)29/h4,6,8,12,14,16H,2-3,5,7,9,11,13H2,1H3,(H,26,30)/t16-/m1/s1.
What are the key properties of 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide?
2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 170582817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).