4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine

C26H23N5O2 — CID 118707956

IUPAC4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine
SMILESCn1cc(-c2cccc(Oc3nccc(N4CCOCC4)n3)c2)c2nc3ccccc3cc21
InChIInChI=1S/C26H23N5O2/c1-30-17-21(25-23(30)16-19-5-2-3-8-22(19)28-25)18-6-4-7-20(15-18)33-26-27-10-9-24(29-26)31-11-13-32-14-12-31/h2-10,15-17H,11-14H2,1H3
InChIKeyTZHRUVMECSOHMA-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.81
Rot. Bonds4

About 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine

4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine (PubChem CID 118707956) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine
PubChem CID118707956
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine
SMILESCn1cc(-c2cccc(Oc3nccc(N4CCOCC4)n3)c2)c2nc3ccccc3cc21
InChIInChI=1S/C26H23N5O2/c1-30-17-21(25-23(30)16-19-5-2-3-8-22(19)28-25)18-6-4-7-20(15-18)33-26-27-10-9-24(29-26)31-11-13-32-14-12-31/h2-10,15-17H,11-14H2,1H3
InChIKeyTZHRUVMECSOHMA-UHFFFAOYSA-N
XLogP4.81
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine (CID 118707956) is 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine is Cn1cc(-c2cccc(Oc3nccc(N4CCOCC4)n3)c2)c2nc3ccccc3cc21.
What is the InChIKey of 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine?
The InChIKey is TZHRUVMECSOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-30-17-21(25-23(30)16-19-5-2-3-8-22(19)28-25)18-6-4-7-20(15-18)33-26-27-10-9-24(29-26)31-11-13-32-14-12-31/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine?
4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine has a molecular weight of 437.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1-methylpyrrolo[3,2-b]quinolin-3-yl)phenoxy]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118707956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).