2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline

C29H28N4 — CID 129043732

IUPAC2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline
SMILESCCc1nc2ccc(C(c3ccncc3)c3cncn3C)cc2c(CC)c1-c1ccccc1
InChIInChI=1S/C29H28N4/c1-4-23-24-17-22(28(21-13-15-30-16-14-21)27-18-31-19-33(27)3)11-12-26(24)32-25(5-2)29(23)20-9-7-6-8-10-20/h6-19,28H,4-5H2,1-3H3
InChIKeyNDPZCOHJHKQNKH-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.34
Rot. Bonds6

About 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline

2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline (PubChem CID 129043732) has the molecular formula C29H28N4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline.

Molecular Properties

Compound Name2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline
PubChem CID129043732
Molecular FormulaC29H28N4
Molecular Weight432.57 g/mol
Exact Mass432.23
IUPAC Name2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline
SMILESCCc1nc2ccc(C(c3ccncc3)c3cncn3C)cc2c(CC)c1-c1ccccc1
InChIInChI=1S/C29H28N4/c1-4-23-24-17-22(28(21-13-15-30-16-14-21)27-18-31-19-33(27)3)11-12-26(24)32-25(5-2)29(23)20-9-7-6-8-10-20/h6-19,28H,4-5H2,1-3H3
InChIKeyNDPZCOHJHKQNKH-UHFFFAOYSA-N
XLogP6.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline?
The IUPAC name of 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline (CID 129043732) is 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline.
What is the SMILES notation for 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline?
The canonical SMILES for 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline is CCc1nc2ccc(C(c3ccncc3)c3cncn3C)cc2c(CC)c1-c1ccccc1.
What is the InChIKey of 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline?
The InChIKey is NDPZCOHJHKQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4/c1-4-23-24-17-22(28(21-13-15-30-16-14-21)27-18-31-19-33(27)3)11-12-26(24)32-25(5-2)29(23)20-9-7-6-8-10-20/h6-19,28H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline?
2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline has a molecular weight of 432.57 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline is sourced from PubChem (CID 129043732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).