1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol

C18H15F2N3O3 — CID 133437468

IUPAC1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
SMILESCc1cc(NCC(O)c2c(F)cccc2F)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C18H15F2N3O3/c1-10-8-14(11-4-2-7-15(23(25)26)18(11)22-10)21-9-16(24)17-12(19)5-3-6-13(17)20/h2-8,16,24H,9H2,1H3,(H,21,22)
InChIKeyZICFWZFYGKARPG-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.88
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol

1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol (PubChem CID 133437468) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
PubChem CID133437468
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
SMILESCc1cc(NCC(O)c2c(F)cccc2F)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C18H15F2N3O3/c1-10-8-14(11-4-2-7-15(23(25)26)18(11)22-10)21-9-16(24)17-12(19)5-3-6-13(17)20/h2-8,16,24H,9H2,1H3,(H,21,22)
InChIKeyZICFWZFYGKARPG-UHFFFAOYSA-N
XLogP3.88
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133436618
1-(4-fluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133436636
1-[4-(difluoromethoxy)phenyl]-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133437406
N-benzyl-3-[(2-methyl-8-nitroquinolin-4-yl)amino]propanamide
CID 133437017
2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine
CID 133436733
N-(4-methoxy-2,2-dimethylbutyl)-2-methyl-8-nitroquinolin-4-amine
CID 133459651
1-N,1-N-dimethyl-3-N-(2-methyl-8-nitroquinolin-4-yl)butane-1,3-diamine
CID 133436966
[4-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]urea
CID 133436481
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805
2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-8-nitroquinolin-4-amine
CID 133437241
N-[3-(benzenesulfonyl)propyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436942

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol (CID 133437468) is 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol is Cc1cc(NCC(O)c2c(F)cccc2F)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol?
The InChIKey is ZICFWZFYGKARPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-10-8-14(11-4-2-7-15(23(25)26)18(11)22-10)21-9-16(24)17-12(19)5-3-6-13(17)20/h2-8,16,24H,9H2,1H3,(H,21,22).
What are the key properties of 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol has a molecular weight of 359.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 133437468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).