8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline

C22H22ClN5O — CID 126666578

IUPAC8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCO[C@H](C)C2)cn1
InChIInChI=1S/C22H22ClN5O/c1-13-10-25-16(11-24-13)9-21-27-20-12-26-19-4-3-15(23)8-18(19)22(20)28(21)17-5-6-29-14(2)7-17/h3-4,8,10-12,14,17H,5-7,9H2,1-2H3/t14-,17-/m1/s1
InChIKeyYYSUHJMDOKKANR-RHSMWYFYSA-N
MW407.91 g/mol
LogP4.67
Rot. Bonds3

About 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 126666578) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID126666578
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCO[C@H](C)C2)cn1
InChIInChI=1S/C22H22ClN5O/c1-13-10-25-16(11-24-13)9-21-27-20-12-26-19-4-3-15(23)8-18(19)22(20)28(21)17-5-6-29-14(2)7-17/h3-4,8,10-12,14,17H,5-7,9H2,1-2H3/t14-,17-/m1/s1
InChIKeyYYSUHJMDOKKANR-RHSMWYFYSA-N
XLogP4.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline (CID 126666578) is 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline is Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCO[C@H](C)C2)cn1.
What is the InChIKey of 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is YYSUHJMDOKKANR-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-13-10-25-16(11-24-13)9-21-27-20-12-26-19-4-3-15(23)8-18(19)22(20)28(21)17-5-6-29-14(2)7-17/h3-4,8,10-12,14,17H,5-7,9H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 407.91 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 126666578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).