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BXZGSIDSJSGAJE-UHFFFAOYSA-N

C19H15F4N3O — CID 122185975

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)
InChIKeyBXZGSIDSJSGAJE-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.41
Rot. Bonds4

About BXZGSIDSJSGAJE-UHFFFAOYSA-N

BXZGSIDSJSGAJE-UHFFFAOYSA-N (PubChem CID 122185975) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameBXZGSIDSJSGAJE-UHFFFAOYSA-N
PubChem CID122185975
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)
InChIKeyBXZGSIDSJSGAJE-UHFFFAOYSA-N
XLogP4.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of BXZGSIDSJSGAJE-UHFFFAOYSA-N?
The IUPAC name of BXZGSIDSJSGAJE-UHFFFAOYSA-N (CID 122185975) is 4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide.
What is the SMILES notation for BXZGSIDSJSGAJE-UHFFFAOYSA-N?
The canonical SMILES for BXZGSIDSJSGAJE-UHFFFAOYSA-N is Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1.
What is the InChIKey of BXZGSIDSJSGAJE-UHFFFAOYSA-N?
The InChIKey is BXZGSIDSJSGAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of BXZGSIDSJSGAJE-UHFFFAOYSA-N?
BXZGSIDSJSGAJE-UHFFFAOYSA-N has a molecular weight of 377.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for BXZGSIDSJSGAJE-UHFFFAOYSA-N is sourced from PubChem (CID 122185975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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