(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

C20H18ClFN4O — CID 57412091

IUPAC(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cc(Nc3cccc4cc(Cl)cnc34)ccc2F)COCC(N)=N1
InChIInChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)15-8-14(5-6-16(15)22)25-17-4-2-3-12-7-13(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)/t20-/m0/s1
InChIKeyQIANIVYIOVZEHV-FQEVSTJZSA-N
MW384.84 g/mol
LogP4.37
Rot. Bonds3

About (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 57412091) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID57412091
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cc(Nc3cccc4cc(Cl)cnc34)ccc2F)COCC(N)=N1
InChIInChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)15-8-14(5-6-16(15)22)25-17-4-2-3-12-7-13(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)/t20-/m0/s1
InChIKeyQIANIVYIOVZEHV-FQEVSTJZSA-N
XLogP4.37
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 57412091) is (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is C[C@@]1(c2cc(Nc3cccc4cc(Cl)cnc34)ccc2F)COCC(N)=N1.
What is the InChIKey of (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is QIANIVYIOVZEHV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)15-8-14(5-6-16(15)22)25-17-4-2-3-12-7-13(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)/t20-/m0/s1.
What are the key properties of (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 384.84 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 57412091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).