4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid

C24H17N5O2 — CID 167367237

IUPAC4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4ccnc(C(=O)O)c4)cc3c2)n1
InChIInChI=1S/C24H17N5O2/c1-14-3-2-4-20(29-14)23-22(27-13-28-23)16-5-6-19-17(9-16)10-18(12-26-19)15-7-8-25-21(11-15)24(30)31/h2-13H,1H3,(H,27,28)(H,30,31)
InChIKeyYSEPLWJZOBFACC-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.76
Rot. Bonds4

About 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid

4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid (PubChem CID 167367237) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid
PubChem CID167367237
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4ccnc(C(=O)O)c4)cc3c2)n1
InChIInChI=1S/C24H17N5O2/c1-14-3-2-4-20(29-14)23-22(27-13-28-23)16-5-6-19-17(9-16)10-18(12-26-19)15-7-8-25-21(11-15)24(30)31/h2-13H,1H3,(H,27,28)(H,30,31)
InChIKeyYSEPLWJZOBFACC-UHFFFAOYSA-N
XLogP4.76
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid (CID 167367237) is 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid is Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4ccnc(C(=O)O)c4)cc3c2)n1.
What is the InChIKey of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is YSEPLWJZOBFACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c1-14-3-2-4-20(29-14)23-22(27-13-28-23)16-5-6-19-17(9-16)10-18(12-26-19)15-7-8-25-21(11-15)24(30)31/h2-13H,1H3,(H,27,28)(H,30,31).
What are the key properties of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid?
4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167367237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).