formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline

C23H24N6O3 — CID 158120988

IUPACformic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESO=CO.[C-]#[N+]c1ccc2ncc3nc(Cn4ccc(C)n4)n([C@@H]4CCO[C@H](C)C4)c3c2c1
InChIInChI=1S/C22H22N6O.CH2O2/c1-14-6-8-27(26-14)13-21-25-20-12-24-19-5-4-16(23-3)11-18(19)22(20)28(21)17-7-9-29-15(2)10-17;2-1-3/h4-6,8,11-12,15,17H,7,9-10,13H2,1-2H3;1H,(H,2,3)/t15-,17-;/m1./s1
InChIKeyFRPIHROXCGPNNO-SSPJITILSA-N
MW432.48 g/mol
LogP4.13
Rot. Bonds3

About formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline

formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 158120988) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Nameformic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID158120988
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Nameformic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESO=CO.[C-]#[N+]c1ccc2ncc3nc(Cn4ccc(C)n4)n([C@@H]4CCO[C@H](C)C4)c3c2c1
InChIInChI=1S/C22H22N6O.CH2O2/c1-14-6-8-27(26-14)13-21-25-20-12-24-19-5-4-16(23-3)11-18(19)22(20)28(21)17-7-9-29-15(2)10-17;2-1-3/h4-6,8,11-12,15,17H,7,9-10,13H2,1-2H3;1H,(H,2,3)/t15-,17-;/m1./s1
InChIKeyFRPIHROXCGPNNO-SSPJITILSA-N
XLogP4.13
TPSA99.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-[[8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-oxazole;formic acid
CID 158622591
formic acid;3-[[8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-benzoxazole
CID 161154707
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetamide
CID 176873135
6-[[8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 140778428
8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 126682230
2-(2,2-difluorocyclohexyl)-8-isocyano-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
CID 153319723
6-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole;formic acid
CID 160877534
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 126666563
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide
CID 170338188
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trideuteriomethyl)pyrazin-2-yl]methyl]imidazo[4,5-c]quinoline
CID 154031581

Frequently Asked Questions

What is the IUPAC name of formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline (CID 158120988) is formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline is O=CO.[C-]#[N+]c1ccc2ncc3nc(Cn4ccc(C)n4)n([C@@H]4CCO[C@H](C)C4)c3c2c1.
What is the InChIKey of formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is FRPIHROXCGPNNO-SSPJITILSA-N. The full InChI is InChI=1S/C22H22N6O.CH2O2/c1-14-6-8-27(26-14)13-21-25-20-12-24-19-5-4-16(23-3)11-18(19)22(20)28(21)17-7-9-29-15(2)10-17;2-1-3/h4-6,8,11-12,15,17H,7,9-10,13H2,1-2H3;1H,(H,2,3)/t15-,17-;/m1./s1.
What are the key properties of formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline?
formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 432.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(3-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 158120988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).