[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol

C19H20N4O — CID 56746136

IUPAC[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol
SMILESCCc1ncc2c(n1)CN(c1nc3c(C)cccc3cc1CO)C2
InChIInChI=1S/C19H20N4O/c1-3-17-20-8-15-9-23(10-16(15)21-17)19-14(11-24)7-13-6-4-5-12(2)18(13)22-19/h4-8,24H,3,9-11H2,1-2H3
InChIKeyFPPYQPSZPRKZFD-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.91
Rot. Bonds3

About [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol

[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol (PubChem CID 56746136) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol
PubChem CID56746136
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol
SMILESCCc1ncc2c(n1)CN(c1nc3c(C)cccc3cc1CO)C2
InChIInChI=1S/C19H20N4O/c1-3-17-20-8-15-9-23(10-16(15)21-17)19-14(11-24)7-13-6-4-5-12(2)18(13)22-19/h4-8,24H,3,9-11H2,1-2H3
InChIKeyFPPYQPSZPRKZFD-UHFFFAOYSA-N
XLogP2.91
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol?
The IUPAC name of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol (CID 56746136) is [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol.
What is the SMILES notation for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol?
The canonical SMILES for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol is CCc1ncc2c(n1)CN(c1nc3c(C)cccc3cc1CO)C2.
What is the InChIKey of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol?
The InChIKey is FPPYQPSZPRKZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-17-20-8-15-9-23(10-16(15)21-17)19-14(11-24)7-13-6-4-5-12(2)18(13)22-19/h4-8,24H,3,9-11H2,1-2H3.
What are the key properties of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol?
[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol has a molecular weight of 320.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-methylquinolin-3-yl]methanol is sourced from PubChem (CID 56746136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).