1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea

C26H19F4N5O3 — CID 174911336

IUPAC1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1cc(F)c(F)c(C(=O)c2ccc3nc(C4CNCCO4)cnc3c2)c1
InChIInChI=1S/C26H19F4N5O3/c27-14-6-15(28)8-16(7-14)33-26(37)34-17-9-18(24(30)19(29)10-17)25(36)13-1-2-20-21(5-13)32-11-22(35-20)23-12-31-3-4-38-23/h1-2,5-11,23,31H,3-4,12H2,(H2,33,34,37)
InChIKeyRKPOKSHBEREOGF-UHFFFAOYSA-N
MW525.46 g/mol
LogP4.72
Rot. Bonds5

About 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea

1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea (PubChem CID 174911336) has the molecular formula C26H19F4N5O3 and a molecular weight of 525.46 g/mol. Its IUPAC name is 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea
PubChem CID174911336
Molecular FormulaC26H19F4N5O3
Molecular Weight525.46 g/mol
Exact Mass525.14
IUPAC Name1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1cc(F)c(F)c(C(=O)c2ccc3nc(C4CNCCO4)cnc3c2)c1
InChIInChI=1S/C26H19F4N5O3/c27-14-6-15(28)8-16(7-14)33-26(37)34-17-9-18(24(30)19(29)10-17)25(36)13-1-2-20-21(5-13)32-11-22(35-20)23-12-31-3-4-38-23/h1-2,5-11,23,31H,3-4,12H2,(H2,33,34,37)
InChIKeyRKPOKSHBEREOGF-UHFFFAOYSA-N
XLogP4.72
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.46
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea (CID 174911336) is 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1)Nc1cc(F)c(F)c(C(=O)c2ccc3nc(C4CNCCO4)cnc3c2)c1.
What is the InChIKey of 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea?
The InChIKey is RKPOKSHBEREOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O3/c27-14-6-15(28)8-16(7-14)33-26(37)34-17-9-18(24(30)19(29)10-17)25(36)13-1-2-20-21(5-13)32-11-22(35-20)23-12-31-3-4-38-23/h1-2,5-11,23,31H,3-4,12H2,(H2,33,34,37).
What are the key properties of 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea?
1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea has a molecular weight of 525.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 174911336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).