3-amino-2-chloroquinolin-6-ol

C9H7ClN2O — CID 115020074

IUPAC3-amino-2-chloroquinolin-6-ol
SMILESNc1cc2cc(O)ccc2nc1Cl
InChIInChI=1S/C9H7ClN2O/c10-9-7(11)4-5-3-6(13)1-2-8(5)12-9/h1-4,13H,11H2
InChIKeyJVBVGOZZEDRDDU-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.18
Rot. Bonds

About 3-amino-2-chloroquinolin-6-ol

3-amino-2-chloroquinolin-6-ol (PubChem CID 115020074) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-amino-2-chloroquinolin-6-ol.

Molecular Properties

Compound Name3-amino-2-chloroquinolin-6-ol
PubChem CID115020074
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-amino-2-chloroquinolin-6-ol
SMILESNc1cc2cc(O)ccc2nc1Cl
InChIInChI=1S/C9H7ClN2O/c10-9-7(11)4-5-3-6(13)1-2-8(5)12-9/h1-4,13H,11H2
InChIKeyJVBVGOZZEDRDDU-UHFFFAOYSA-N
XLogP2.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-chloroquinolin-3-amine
CID 114553732
2-chloro-6-methylsulfonylquinolin-3-amine
CID 114553273
2-chloro-6,7-dimethylquinolin-3-amine
CID 114553740
2-chloroquinolin-3-amine;quinolin-3-amine
CID 87752859
2,3-diiodoquinolin-6-ol
CID 174698607
N-(3-chloroquinoxalin-2-yl)-3-hydroxybenzamide
CID 102989781
2-chloro-6-methylquinolin-3-ol
CID 117246619
2-methylquinolin-6-ol
CID 594395
2,1-benzoxazol-5-ol
CID 12030308
2-chloroquinolin-3-ol
CID 14616631
4-amino-2-chloroquinazolin-7-ol
CID 136693537
2-(difluoromethyl)quinolin-6-ol
CID 118843194

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloroquinolin-6-ol?
The IUPAC name of 3-amino-2-chloroquinolin-6-ol (CID 115020074) is 3-amino-2-chloroquinolin-6-ol.
What is the SMILES notation for 3-amino-2-chloroquinolin-6-ol?
The canonical SMILES for 3-amino-2-chloroquinolin-6-ol is Nc1cc2cc(O)ccc2nc1Cl.
What is the InChIKey of 3-amino-2-chloroquinolin-6-ol?
The InChIKey is JVBVGOZZEDRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-9-7(11)4-5-3-6(13)1-2-8(5)12-9/h1-4,13H,11H2.
What are the key properties of 3-amino-2-chloroquinolin-6-ol?
3-amino-2-chloroquinolin-6-ol has a molecular weight of 194.62 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloroquinolin-6-ol is sourced from PubChem (CID 115020074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).