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

C23H23ClN4O — CID 126712298

IUPAC8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
SMILESCc1ccc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCO[C@H](C)C2)nc1
InChIInChI=1S/C23H23ClN4O/c1-14-3-5-17(25-12-14)11-22-27-21-13-26-20-6-4-16(24)10-19(20)23(21)28(22)18-7-8-29-15(2)9-18/h3-6,10,12-13,15,18H,7-9,11H2,1-2H3/t15-,18?/m1/s1
InChIKeyWFTSBRRDDDLDRN-NNJIEVJOSA-N
MW406.92 g/mol
LogP5.27
Rot. Bonds3

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

8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline (PubChem CID 126712298) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
PubChem CID126712298
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
SMILESCc1ccc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCO[C@H](C)C2)nc1
InChIInChI=1S/C23H23ClN4O/c1-14-3-5-17(25-12-14)11-22-27-21-13-26-20-6-4-16(24)10-19(20)23(21)28(22)18-7-8-29-15(2)9-18/h3-6,10,12-13,15,18H,7-9,11H2,1-2H3/t15-,18?/m1/s1
InChIKeyWFTSBRRDDDLDRN-NNJIEVJOSA-N
XLogP5.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline (CID 126712298) is 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline is Cc1ccc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCO[C@H](C)C2)nc1.
What is the InChIKey of 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is WFTSBRRDDDLDRN-NNJIEVJOSA-N. The full InChI is InChI=1S/C23H23ClN4O/c1-14-3-5-17(25-12-14)11-22-27-21-13-26-20-6-4-16(24)10-19(20)23(21)28(22)18-7-8-29-15(2)9-18/h3-6,10,12-13,15,18H,7-9,11H2,1-2H3/t15-,18?/m1/s1.
What are the key properties of 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 406.92 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 126712298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).