(2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine

C24H26F2N4O2 — CID 70557625

IUPAC(2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine
SMILESCC1(c2cc(Nc3cc(F)cc4cc(OCC5CC5)cnc34)ccc2F)CNC[C@H](N)O1
InChIInChI=1S/C24H26F2N4O2/c1-24(13-28-11-22(27)32-24)19-9-17(4-5-20(19)26)30-21-8-16(25)6-15-7-18(10-29-23(15)21)31-12-14-2-3-14/h4-10,14,22,28,30H,2-3,11-13,27H2,1H3/t22-,24?/m1/s1
InChIKeyZMHXKEKRFUGESN-LETIRJCYSA-N
MW440.49 g/mol
LogP4.17
Rot. Bonds6

About (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine

(2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine (PubChem CID 70557625) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine.

Molecular Properties

Compound Name(2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine
PubChem CID70557625
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name(2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine
SMILESCC1(c2cc(Nc3cc(F)cc4cc(OCC5CC5)cnc34)ccc2F)CNC[C@H](N)O1
InChIInChI=1S/C24H26F2N4O2/c1-24(13-28-11-22(27)32-24)19-9-17(4-5-20(19)26)30-21-8-16(25)6-15-7-18(10-29-23(15)21)31-12-14-2-3-14/h4-10,14,22,28,30H,2-3,11-13,27H2,1H3/t22-,24?/m1/s1
InChIKeyZMHXKEKRFUGESN-LETIRJCYSA-N
XLogP4.17
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine with MolForge

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Related Compounds

6-Methoxy-3-methyl-4-phenoxy-8-(piperazin-1-yl)quinoline
CID 59017478
6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-quinoxaline
CID 14985869
US10155760, Example 131
CID 118419835
US10155760, Example 226
CID 118419920
US10155760, Example 227
CID 118420148
US10155760, Example 129
CID 118421399
US10155760, Example 118
CID 118429808
US10155760, Example 145
CID 118429817
(S)-1-((6-(7-fluoroquinolin-4-yl)-4-methylpyridin-3-yl)oxy)-2,4-dimethylpentan-2-amine
CID 118429941
US10155760, Example 121
CID 118429961
(S)-1-((4-chloro-6-(5,7-difluoroquinolin-4-yl)pyridin-3-yl)oxy)-2,4-dimethylpentan-2-amine
CID 129292478
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride
CID 44529751

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine?
The IUPAC name of (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine (CID 70557625) is (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine.
What is the SMILES notation for (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine?
The canonical SMILES for (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine is CC1(c2cc(Nc3cc(F)cc4cc(OCC5CC5)cnc34)ccc2F)CNC[C@H](N)O1.
What is the InChIKey of (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine?
The InChIKey is ZMHXKEKRFUGESN-LETIRJCYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-24(13-28-11-22(27)32-24)19-9-17(4-5-20(19)26)30-21-8-16(25)6-15-7-18(10-29-23(15)21)31-12-14-2-3-14/h4-10,14,22,28,30H,2-3,11-13,27H2,1H3/t22-,24?/m1/s1.
What are the key properties of (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine?
(2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine has a molecular weight of 440.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[5-[[3-(cyclopropylmethoxy)-6-fluoroquinolin-8-yl]amino]-2-fluorophenyl]-6-methylmorpholin-2-amine is sourced from PubChem (CID 70557625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).