5-iodo-2-quinolin-7-yloxyaniline

C15H11IN2O — CID 107313234

IUPAC5-iodo-2-quinolin-7-yloxyaniline
SMILESNc1cc(I)ccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C15H11IN2O/c16-11-4-6-15(13(17)8-11)19-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2
InChIKeyUYCQFUINLAQJAU-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.21
Rot. Bonds2

About 5-iodo-2-quinolin-7-yloxyaniline

5-iodo-2-quinolin-7-yloxyaniline (PubChem CID 107313234) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-iodo-2-quinolin-7-yloxyaniline.

Molecular Properties

Compound Name5-iodo-2-quinolin-7-yloxyaniline
PubChem CID107313234
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name5-iodo-2-quinolin-7-yloxyaniline
SMILESNc1cc(I)ccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C15H11IN2O/c16-11-4-6-15(13(17)8-11)19-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2
InChIKeyUYCQFUINLAQJAU-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
CID 107313172
2-quinolin-7-yloxypyridin-3-amine
CID 107313182
2-ethoxy-4-quinolin-7-yloxyaniline
CID 107313220
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
2-amino-4-quinolin-7-yloxybenzonitrile
CID 107313214
7-pyridin-4-yloxyquinoline
CID 141187990
5-methyl-2-quinolin-7-yloxypyridin-3-amine
CID 107313223
7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
4-methyl-6-quinolin-7-yloxypyrimidin-2-amine
CID 107315905

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-quinolin-7-yloxyaniline?
The IUPAC name of 5-iodo-2-quinolin-7-yloxyaniline (CID 107313234) is 5-iodo-2-quinolin-7-yloxyaniline.
What is the SMILES notation for 5-iodo-2-quinolin-7-yloxyaniline?
The canonical SMILES for 5-iodo-2-quinolin-7-yloxyaniline is Nc1cc(I)ccc1Oc1ccc2cccnc2c1.
What is the InChIKey of 5-iodo-2-quinolin-7-yloxyaniline?
The InChIKey is UYCQFUINLAQJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c16-11-4-6-15(13(17)8-11)19-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2.
What are the key properties of 5-iodo-2-quinolin-7-yloxyaniline?
5-iodo-2-quinolin-7-yloxyaniline has a molecular weight of 362.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-quinolin-7-yloxyaniline is sourced from PubChem (CID 107313234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).