[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol

C21H24N4O — CID 56751026

IUPAC[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol
SMILESCc1ccc2cc(CO)c(N3Cc4cnc(CC(C)C)nc4C3)nc2c1
InChIInChI=1S/C21H24N4O/c1-13(2)6-20-22-9-17-10-25(11-19(17)23-20)21-16(12-26)8-15-5-4-14(3)7-18(15)24-21/h4-5,7-9,13,26H,6,10-12H2,1-3H3
InChIKeyKVBIELSXFMIMHE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.54
Rot. Bonds4

About [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol

[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol (PubChem CID 56751026) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol
PubChem CID56751026
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol
SMILESCc1ccc2cc(CO)c(N3Cc4cnc(CC(C)C)nc4C3)nc2c1
InChIInChI=1S/C21H24N4O/c1-13(2)6-20-22-9-17-10-25(11-19(17)23-20)21-16(12-26)8-15-5-4-14(3)7-18(15)24-21/h4-5,7-9,13,26H,6,10-12H2,1-3H3
InChIKeyKVBIELSXFMIMHE-UHFFFAOYSA-N
XLogP3.54
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol?
The IUPAC name of [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol (CID 56751026) is [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol?
The canonical SMILES for [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol is Cc1ccc2cc(CO)c(N3Cc4cnc(CC(C)C)nc4C3)nc2c1.
What is the InChIKey of [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol?
The InChIKey is KVBIELSXFMIMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(2)6-20-22-9-17-10-25(11-19(17)23-20)21-16(12-26)8-15-5-4-14(3)7-18(15)24-21/h4-5,7-9,13,26H,6,10-12H2,1-3H3.
What are the key properties of [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol?
[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol has a molecular weight of 348.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 56751026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).