4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline

C24H20N4O — CID 70460888

IUPAC4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline
SMILESCOc1ccc(NCc2ccnc3ccc4[nH]c(-c5ccccc5)nc4c23)cc1
InChIInChI=1S/C24H20N4O/c1-29-19-9-7-18(8-10-19)26-15-17-13-14-25-20-11-12-21-23(22(17)20)28-24(27-21)16-5-3-2-4-6-16/h2-14,26H,15H2,1H3,(H,27,28)
InChIKeyUUEAUXXMUPKSSY-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.40
Rot. Bonds5

About 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline

4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline (PubChem CID 70460888) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline
PubChem CID70460888
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline
SMILESCOc1ccc(NCc2ccnc3ccc4[nH]c(-c5ccccc5)nc4c23)cc1
InChIInChI=1S/C24H20N4O/c1-29-19-9-7-18(8-10-19)26-15-17-13-14-25-20-11-12-21-23(22(17)20)28-24(27-21)16-5-3-2-4-6-16/h2-14,26H,15H2,1H3,(H,27,28)
InChIKeyUUEAUXXMUPKSSY-UHFFFAOYSA-N
XLogP5.40
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline (CID 70460888) is 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline is COc1ccc(NCc2ccnc3ccc4[nH]c(-c5ccccc5)nc4c23)cc1.
What is the InChIKey of 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline?
The InChIKey is UUEAUXXMUPKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-29-19-9-7-18(8-10-19)26-15-17-13-14-25-20-11-12-21-23(22(17)20)28-24(27-21)16-5-3-2-4-6-16/h2-14,26H,15H2,1H3,(H,27,28).
What are the key properties of 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline?
4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline has a molecular weight of 380.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline is sourced from PubChem (CID 70460888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).