6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine

C18H22N4O2 — CID 145094661

IUPAC6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
SMILESCOC[C@H]1CCCN1c1ccc2c(c1)N(O)Cc1cccnc1N2
InChIInChI=1S/C18H22N4O2/c1-24-12-15-5-3-9-21(15)14-6-7-16-17(10-14)22(23)11-13-4-2-8-19-18(13)20-16/h2,4,6-8,10,15,23H,3,5,9,11-12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyCYWAFYYRXPJHDA-OAHLLOKOSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds3

About 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine

6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine (PubChem CID 145094661) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine.

Molecular Properties

Compound Name6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
PubChem CID145094661
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
SMILESCOC[C@H]1CCCN1c1ccc2c(c1)N(O)Cc1cccnc1N2
InChIInChI=1S/C18H22N4O2/c1-24-12-15-5-3-9-21(15)14-6-7-16-17(10-14)22(23)11-13-4-2-8-19-18(13)20-16/h2,4,6-8,10,15,23H,3,5,9,11-12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyCYWAFYYRXPJHDA-OAHLLOKOSA-N
XLogP3.15
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine?
The IUPAC name of 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine (CID 145094661) is 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine.
What is the SMILES notation for 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine?
The canonical SMILES for 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine is COC[C@H]1CCCN1c1ccc2c(c1)N(O)Cc1cccnc1N2.
What is the InChIKey of 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine?
The InChIKey is CYWAFYYRXPJHDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-12-15-5-3-9-21(15)14-6-7-16-17(10-14)22(23)11-13-4-2-8-19-18(13)20-16/h2,4,6-8,10,15,23H,3,5,9,11-12H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine?
6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine has a molecular weight of 326.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine is sourced from PubChem (CID 145094661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).