4-(3-nitroanilino)quinolin-7-ol

C15H11N3O3 — CID 137246319

IUPAC4-(3-nitroanilino)quinolin-7-ol
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3cc(O)ccc23)c1
InChIInChI=1S/C15H11N3O3/c19-12-4-5-13-14(6-7-16-15(13)9-12)17-10-2-1-3-11(8-10)18(20)21/h1-9,19H,(H,16,17)
InChIKeyFIXKORIYQXUCDZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.59
Rot. Bonds3

About 4-(3-nitroanilino)quinolin-7-ol

4-(3-nitroanilino)quinolin-7-ol (PubChem CID 137246319) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(3-nitroanilino)quinolin-7-ol.

Molecular Properties

Compound Name4-(3-nitroanilino)quinolin-7-ol
PubChem CID137246319
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(3-nitroanilino)quinolin-7-ol
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3cc(O)ccc23)c1
InChIInChI=1S/C15H11N3O3/c19-12-4-5-13-14(6-7-16-15(13)9-12)17-10-2-1-3-11(8-10)18(20)21/h1-9,19H,(H,16,17)
InChIKeyFIXKORIYQXUCDZ-UHFFFAOYSA-N
XLogP3.59
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.59
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

N-(3-chlorophenyl)-6-nitroquinolin-4-amine
CID 70281154
N-(3-bromophenyl)-6-nitroquinolin-4-amine
CID 46197130
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
CID 44532315
6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
CID 50878017
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
bis(N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-nitroquinolin-4-yl)amino]benzamide) dichloride
CID 86621639
N-benzyl-7-nitroquinolin-4-amine
CID 10084998
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328
2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
CID 19258585
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitroanilino)quinolin-7-ol?
The IUPAC name of 4-(3-nitroanilino)quinolin-7-ol (CID 137246319) is 4-(3-nitroanilino)quinolin-7-ol.
What is the SMILES notation for 4-(3-nitroanilino)quinolin-7-ol?
The canonical SMILES for 4-(3-nitroanilino)quinolin-7-ol is O=[N+]([O-])c1cccc(Nc2ccnc3cc(O)ccc23)c1.
What is the InChIKey of 4-(3-nitroanilino)quinolin-7-ol?
The InChIKey is FIXKORIYQXUCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-12-4-5-13-14(6-7-16-15(13)9-12)17-10-2-1-3-11(8-10)18(20)21/h1-9,19H,(H,16,17).
What are the key properties of 4-(3-nitroanilino)quinolin-7-ol?
4-(3-nitroanilino)quinolin-7-ol has a molecular weight of 281.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitroanilino)quinolin-7-ol is sourced from PubChem (CID 137246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).