3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol

C17H15ClN4O2 — CID 73056302

IUPAC3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1
InChIInChI=1S/C17H15ClN4O2/c18-12-9-14-16(19-10-12)15(11-2-1-3-13(23)8-11)21-17(20-14)22-4-6-24-7-5-22/h1-3,8-10,23H,4-7H2
InChIKeyCEWQKIPGNVPRIM-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.89
Rot. Bonds2

About 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol

3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol (PubChem CID 73056302) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
PubChem CID73056302
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1
InChIInChI=1S/C17H15ClN4O2/c18-12-9-14-16(19-10-12)15(11-2-1-3-13(23)8-11)21-17(20-14)22-4-6-24-7-5-22/h1-3,8-10,23H,4-7H2
InChIKeyCEWQKIPGNVPRIM-UHFFFAOYSA-N
XLogP2.89
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The IUPAC name of 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol (CID 73056302) is 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1.
What is the InChIKey of 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The InChIKey is CEWQKIPGNVPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-9-14-16(19-10-12)15(11-2-1-3-13(23)8-11)21-17(20-14)22-4-6-24-7-5-22/h1-3,8-10,23H,4-7H2.
What are the key properties of 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol has a molecular weight of 342.79 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol is sourced from PubChem (CID 73056302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).