3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol

C28H30N6O2 — CID 90038263

IUPAC3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCN(c5ccccc5)CC4)cc3n2)c1
InChIInChI=1S/C28H30N6O2/c35-24-8-4-5-22(18-24)27-30-25-17-21(19-29-26(25)28(31-27)34-13-15-36-16-14-34)20-32-9-11-33(12-10-32)23-6-2-1-3-7-23/h1-8,17-19,35H,9-16,20H2
InChIKeyICLUGJPQCWZQEL-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.56
Rot. Bonds5

About 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol

3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 90038263) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID90038263
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCN(c5ccccc5)CC4)cc3n2)c1
InChIInChI=1S/C28H30N6O2/c35-24-8-4-5-22(18-24)27-30-25-17-21(19-29-26(25)28(31-27)34-13-15-36-16-14-34)20-32-9-11-33(12-10-32)23-6-2-1-3-7-23/h1-8,17-19,35H,9-16,20H2
InChIKeyICLUGJPQCWZQEL-UHFFFAOYSA-N
XLogP3.56
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol (CID 90038263) is 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCN(c5ccccc5)CC4)cc3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is ICLUGJPQCWZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c35-24-8-4-5-22(18-24)27-30-25-17-21(19-29-26(25)28(31-27)34-13-15-36-16-14-34)20-32-9-11-33(12-10-32)23-6-2-1-3-7-23/h1-8,17-19,35H,9-16,20H2.
What are the key properties of 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 482.59 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 90038263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).