(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C23H30N4O5 — CID 141419992

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCOCC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C23H30N4O5/c1-15(2)17-11-18(21(29)12-20(17)28)22(30)27-4-3-19-16(14-27)13-24-23(25-19)32-10-7-26-5-8-31-9-6-26/h11-13,15,28-29H,3-10,14H2,1-2H3
InChIKeyQZFQZRZQGLZXMM-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.92
Rot. Bonds6

About (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 141419992) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID141419992
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCOCC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C23H30N4O5/c1-15(2)17-11-18(21(29)12-20(17)28)22(30)27-4-3-19-16(14-27)13-24-23(25-19)32-10-7-26-5-8-31-9-6-26/h11-13,15,28-29H,3-10,14H2,1-2H3
InChIKeyQZFQZRZQGLZXMM-UHFFFAOYSA-N
XLogP1.92
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

[2,4-Bis(Oxidanyl)-5-Propan-2-Yl-Phenyl]-(2-Ethoxy-7,8-Dihydro-5~{h}-Pyrido[4,3-D]pyrimidin-6-Yl)methanone
CID 124220253
[(2S)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 117970892
(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(ethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 132991403
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419972
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 141419973
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419975
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-methoxyethoxy)-4-propoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419976
(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-methoxy-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419978
[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 141419979
(2,4-dihydroxy-5-propan-2-ylphenyl)-[4-(dimethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419980
[4-(diethylamino)-2-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 141419985
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-methoxyethoxy)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419986

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 141419992) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCOCC4)ncc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is QZFQZRZQGLZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-15(2)17-11-18(21(29)12-20(17)28)22(30)27-4-3-19-16(14-27)13-24-23(25-19)32-10-7-26-5-8-31-9-6-26/h11-13,15,28-29H,3-10,14H2,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 141419992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).