3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol

C23H21N5O2 — CID 53320102

IUPAC3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H21N5O2/c29-19-6-3-5-17(13-19)21-14-22(27-23(26-21)28-8-10-30-11-9-28)25-18-12-16-4-1-2-7-20(16)24-15-18/h1-7,12-15,29H,8-11H2,(H,25,26,27)
InChIKeyBQMIYSBHFVDQPF-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.98
Rot. Bonds4

About 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol

3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol (PubChem CID 53320102) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol
PubChem CID53320102
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H21N5O2/c29-19-6-3-5-17(13-19)21-14-22(27-23(26-21)28-8-10-30-11-9-28)25-18-12-16-4-1-2-7-20(16)24-15-18/h1-7,12-15,29H,8-11H2,(H,25,26,27)
InChIKeyBQMIYSBHFVDQPF-UHFFFAOYSA-N
XLogP3.98
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol (CID 53320102) is 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol is Oc1cccc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol?
The InChIKey is BQMIYSBHFVDQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-19-6-3-5-17(13-19)21-14-22(27-23(26-21)28-8-10-30-11-9-28)25-18-12-16-4-1-2-7-20(16)24-15-18/h1-7,12-15,29H,8-11H2,(H,25,26,27).
What are the key properties of 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol?
3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol has a molecular weight of 399.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 53320102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).