(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

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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).