4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine

C31H30FN5O2 — CID 44545938

IUPAC4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCN4CCOCC4)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C31H30FN5O2/c1-21-4-2-6-27(34-21)31-30(24-8-10-26-23(20-24)5-3-11-33-26)35-29(36-31)19-22-7-9-25(32)28(18-22)39-17-14-37-12-15-38-16-13-37/h2-11,18,20H,12-17,19H2,1H3,(H,35,36)
InChIKeyNCKIYFLKUIKXCF-UHFFFAOYSA-N
MW523.61 g/mol
LogP5.44
Rot. Bonds8

About 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine

4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine (PubChem CID 44545938) has the molecular formula C31H30FN5O2 and a molecular weight of 523.61 g/mol. Its IUPAC name is 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine
PubChem CID44545938
Molecular FormulaC31H30FN5O2
Molecular Weight523.61 g/mol
Exact Mass523.24
IUPAC Name4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCN4CCOCC4)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C31H30FN5O2/c1-21-4-2-6-27(34-21)31-30(24-8-10-26-23(20-24)5-3-11-33-26)35-29(36-31)19-22-7-9-25(32)28(18-22)39-17-14-37-12-15-38-16-13-37/h2-11,18,20H,12-17,19H2,1H3,(H,35,36)
InChIKeyNCKIYFLKUIKXCF-UHFFFAOYSA-N
XLogP5.44
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine (CID 44545938) is 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCN4CCOCC4)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine?
The InChIKey is NCKIYFLKUIKXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN5O2/c1-21-4-2-6-27(34-21)31-30(24-8-10-26-23(20-24)5-3-11-33-26)35-29(36-31)19-22-7-9-25(32)28(18-22)39-17-14-37-12-15-38-16-13-37/h2-11,18,20H,12-17,19H2,1H3,(H,35,36).
What are the key properties of 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine?
4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine has a molecular weight of 523.61 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 44545938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).