6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine

C15H18FN3O — CID 142423773

IUPAC6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine
SMILESC[C@@H]1CC(Nc2c(N)cnc3ccc(F)cc23)CCO1
InChIInChI=1S/C15H18FN3O/c1-9-6-11(4-5-20-9)19-15-12-7-10(16)2-3-14(12)18-8-13(15)17/h2-3,7-9,11H,4-6,17H2,1H3,(H,18,19)/t9-,11?/m1/s1
InChIKeyCARCASYFMHZEEN-BFHBGLAWSA-N
MW275.33 g/mol
LogP2.94
Rot. Bonds2

About 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine

6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine (PubChem CID 142423773) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine.

Molecular Properties

Compound Name6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine
PubChem CID142423773
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine
SMILESC[C@@H]1CC(Nc2c(N)cnc3ccc(F)cc23)CCO1
InChIInChI=1S/C15H18FN3O/c1-9-6-11(4-5-20-9)19-15-12-7-10(16)2-3-14(12)18-8-13(15)17/h2-3,7-9,11H,4-6,17H2,1H3,(H,18,19)/t9-,11?/m1/s1
InChIKeyCARCASYFMHZEEN-BFHBGLAWSA-N
XLogP2.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine?
The IUPAC name of 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine (CID 142423773) is 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine.
What is the SMILES notation for 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine?
The canonical SMILES for 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine is C[C@@H]1CC(Nc2c(N)cnc3ccc(F)cc23)CCO1.
What is the InChIKey of 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine?
The InChIKey is CARCASYFMHZEEN-BFHBGLAWSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-6-11(4-5-20-9)19-15-12-7-10(16)2-3-14(12)18-8-13(15)17/h2-3,7-9,11H,4-6,17H2,1H3,(H,18,19)/t9-,11?/m1/s1.
What are the key properties of 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine?
6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-N-[(2R)-2-methyloxan-4-yl]quinoline-3,4-diamine is sourced from PubChem (CID 142423773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).