1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid

C24H21N5O4 — CID 170337555

IUPAC1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
SMILESC[C@@H]1C[C@H](n2c(Cn3cccc(C(=O)O)c3=O)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C24H21N5O4/c1-14-9-16(6-8-33-14)29-21(13-28-7-2-3-17(23(28)30)24(31)32)27-20-12-26-19-5-4-15(11-25)10-18(19)22(20)29/h2-5,7,10,12,14,16H,6,8-9,13H2,1H3,(H,31,32)/t14-,16-/m1/s1
InChIKeyPTAQHQVPUVCPSE-GDBMZVCRSA-N
MW443.46 g/mol
LogP3.10
Rot. Bonds4

About 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid

1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 170337555) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID170337555
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
SMILESC[C@@H]1C[C@H](n2c(Cn3cccc(C(=O)O)c3=O)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C24H21N5O4/c1-14-9-16(6-8-33-14)29-21(13-28-7-2-3-17(23(28)30)24(31)32)27-20-12-26-19-5-4-15(11-25)10-18(19)22(20)29/h2-5,7,10,12,14,16H,6,8-9,13H2,1H3,(H,31,32)/t14-,16-/m1/s1
InChIKeyPTAQHQVPUVCPSE-GDBMZVCRSA-N
XLogP3.10
TPSA123.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid (CID 170337555) is 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid is C[C@@H]1C[C@H](n2c(Cn3cccc(C(=O)O)c3=O)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is PTAQHQVPUVCPSE-GDBMZVCRSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-14-9-16(6-8-33-14)29-21(13-28-7-2-3-17(23(28)30)24(31)32)27-20-12-26-19-5-4-15(11-25)10-18(19)22(20)29/h2-5,7,10,12,14,16H,6,8-9,13H2,1H3,(H,31,32)/t14-,16-/m1/s1.
What are the key properties of 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid?
1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 443.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170337555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).