1-(4-nitrophenyl)-2-quinolin-4-ylethanol

C17H14N2O3 — CID 117066360

IUPAC1-(4-nitrophenyl)-2-quinolin-4-ylethanol
SMILESO=[N+]([O-])c1ccc(C(O)Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H14N2O3/c20-17(12-5-7-14(8-6-12)19(21)22)11-13-9-10-18-16-4-2-1-3-15(13)16/h1-10,17,20H,11H2
InChIKeyCLGFBSSOIWDRQK-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-nitrophenyl)-2-quinolin-4-ylethanol

1-(4-nitrophenyl)-2-quinolin-4-ylethanol (PubChem CID 117066360) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-quinolin-4-ylethanol.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-quinolin-4-ylethanol
PubChem CID117066360
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(4-nitrophenyl)-2-quinolin-4-ylethanol
SMILESO=[N+]([O-])c1ccc(C(O)Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H14N2O3/c20-17(12-5-7-14(8-6-12)19(21)22)11-13-9-10-18-16-4-2-1-3-15(13)16/h1-10,17,20H,11H2
InChIKeyCLGFBSSOIWDRQK-UHFFFAOYSA-N
XLogP3.42
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
1-(6-methoxy-3-pyridinyl)-2-quinolin-4-ylethanol
CID 114937830
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
4-[(2S)-1-(4-nitrophenoxy)propan-2-yl]quinoline
CID 101225566
bis(4-nitrophenyl)methanol
CID 12768612
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
2-(3,5-dinitrophenyl)-1-phenylethanol
CID 88671107
4-(2-bromo-2-phenylethyl)quinoline
CID 63202521
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
4-(2-ethylbutyl)quinoline
CID 143495355

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-quinolin-4-ylethanol?
The IUPAC name of 1-(4-nitrophenyl)-2-quinolin-4-ylethanol (CID 117066360) is 1-(4-nitrophenyl)-2-quinolin-4-ylethanol.
What is the SMILES notation for 1-(4-nitrophenyl)-2-quinolin-4-ylethanol?
The canonical SMILES for 1-(4-nitrophenyl)-2-quinolin-4-ylethanol is O=[N+]([O-])c1ccc(C(O)Cc2ccnc3ccccc23)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2-quinolin-4-ylethanol?
The InChIKey is CLGFBSSOIWDRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(12-5-7-14(8-6-12)19(21)22)11-13-9-10-18-16-4-2-1-3-15(13)16/h1-10,17,20H,11H2.
What are the key properties of 1-(4-nitrophenyl)-2-quinolin-4-ylethanol?
1-(4-nitrophenyl)-2-quinolin-4-ylethanol has a molecular weight of 294.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-quinolin-4-ylethanol is sourced from PubChem (CID 117066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).