2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol

C25H25N3O — CID 129244879

IUPAC2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol
SMILESCc1c(Nc2cccc3cc(CNCCO)cnc23)cccc1-c1ccccc1
InChIInChI=1S/C25H25N3O/c1-18-22(20-7-3-2-4-8-20)10-6-11-23(18)28-24-12-5-9-21-15-19(16-26-13-14-29)17-27-25(21)24/h2-12,15,17,26,28-29H,13-14,16H2,1H3
InChIKeyNHGZPWFRCNWOMB-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.04
Rot. Bonds7

About 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol

2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol (PubChem CID 129244879) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol
PubChem CID129244879
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol
SMILESCc1c(Nc2cccc3cc(CNCCO)cnc23)cccc1-c1ccccc1
InChIInChI=1S/C25H25N3O/c1-18-22(20-7-3-2-4-8-20)10-6-11-23(18)28-24-12-5-9-21-15-19(16-26-13-14-29)17-27-25(21)24/h2-12,15,17,26,28-29H,13-14,16H2,1H3
InChIKeyNHGZPWFRCNWOMB-UHFFFAOYSA-N
XLogP5.04
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol (CID 129244879) is 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol is Cc1c(Nc2cccc3cc(CNCCO)cnc23)cccc1-c1ccccc1.
What is the InChIKey of 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol?
The InChIKey is NHGZPWFRCNWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-22(20-7-3-2-4-8-20)10-6-11-23(18)28-24-12-5-9-21-15-19(16-26-13-14-29)17-27-25(21)24/h2-12,15,17,26,28-29H,13-14,16H2,1H3.
What are the key properties of 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol?
2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol has a molecular weight of 383.50 g/mol, XLogP of 5.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-methyl-3-phenylanilino)quinolin-3-yl]methylamino]ethanol is sourced from PubChem (CID 129244879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).