7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine

C14H13FN4O — CID 106369619

IUPAC7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
SMILESCc1cnc(CNc2c(F)cc(N)c3cccnc23)o1
InChIInChI=1S/C14H13FN4O/c1-8-6-18-12(20-8)7-19-14-10(15)5-11(16)9-3-2-4-17-13(9)14/h2-6,19H,7,16H2,1H3
InChIKeyCZVFTXIQHUGCIM-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.86
Rot. Bonds3

About 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine

7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine (PubChem CID 106369619) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
PubChem CID106369619
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
SMILESCc1cnc(CNc2c(F)cc(N)c3cccnc23)o1
InChIInChI=1S/C14H13FN4O/c1-8-6-18-12(20-8)7-19-14-10(15)5-11(16)9-3-2-4-17-13(9)14/h2-6,19H,7,16H2,1H3
InChIKeyCZVFTXIQHUGCIM-UHFFFAOYSA-N
XLogP2.86
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine (CID 106369619) is 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine is Cc1cnc(CNc2c(F)cc(N)c3cccnc23)o1.
What is the InChIKey of 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine?
The InChIKey is CZVFTXIQHUGCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-6-18-12(20-8)7-19-14-10(15)5-11(16)9-3-2-4-17-13(9)14/h2-6,19H,7,16H2,1H3.
What are the key properties of 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine?
7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine has a molecular weight of 272.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 106369619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).