2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine

C24H19N4P — CID 142830757

IUPAC2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine
SMILES[H]/N=C(\P)Cc1ccccc1-n1cnc2cnc3ccc(-c4ccccc4)cc3c21
InChIInChI=1S/C24H19N4P/c25-23(29)13-18-8-4-5-9-22(18)28-15-27-21-14-26-20-11-10-17(12-19(20)24(21)28)16-6-2-1-3-7-16/h1-12,14-15,25H,13,29H2/b25-23-
InChIKeyMHMAMAJGYYKHFW-BZZOAKBMSA-N
MW394.42 g/mol
LogP5.64
Rot. Bonds4

About 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine

2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine (PubChem CID 142830757) has the molecular formula C24H19N4P and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine.

Molecular Properties

Compound Name2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine
PubChem CID142830757
Molecular FormulaC24H19N4P
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Name2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine
SMILES[H]/N=C(\P)Cc1ccccc1-n1cnc2cnc3ccc(-c4ccccc4)cc3c21
InChIInChI=1S/C24H19N4P/c25-23(29)13-18-8-4-5-9-22(18)28-15-27-21-14-26-20-11-10-17(12-19(20)24(21)28)16-6-2-1-3-7-16/h1-12,14-15,25H,13,29H2/b25-23-
InChIKeyMHMAMAJGYYKHFW-BZZOAKBMSA-N
XLogP5.64
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine?
The IUPAC name of 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine (CID 142830757) is 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine.
What is the SMILES notation for 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine?
The canonical SMILES for 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine is [H]/N=C(\P)Cc1ccccc1-n1cnc2cnc3ccc(-c4ccccc4)cc3c21.
What is the InChIKey of 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine?
The InChIKey is MHMAMAJGYYKHFW-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H19N4P/c25-23(29)13-18-8-4-5-9-22(18)28-15-27-21-14-26-20-11-10-17(12-19(20)24(21)28)16-6-2-1-3-7-16/h1-12,14-15,25H,13,29H2/b25-23-.
What are the key properties of 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine?
2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine has a molecular weight of 394.42 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine is sourced from PubChem (CID 142830757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).