6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one

C10H7F3N2O2 — CID 18008402

IUPAC6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESNc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1O
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-2-9(17)15-7-3-8(16)6(14)1-4(5)7/h1-3,16H,14H2,(H,15,17)
InChIKeyPKWIVLUQVDPDSV-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.83
Rot. Bonds

About 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one

6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 18008402) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID18008402
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESNc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1O
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-2-9(17)15-7-3-8(16)6(14)1-4(5)7/h1-3,16H,14H2,(H,15,17)
InChIKeyPKWIVLUQVDPDSV-UHFFFAOYSA-N
XLogP1.83
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one (CID 18008402) is 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one is Nc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1O.
What is the InChIKey of 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is PKWIVLUQVDPDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)5-2-9(17)15-7-3-8(16)6(14)1-4(5)7/h1-3,16H,14H2,(H,15,17).
What are the key properties of 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one?
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 244.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 18008402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).