14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one

C17H20N2O2 — CID 155524071

IUPAC14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
SMILESO=C1c2[nH]c3ccccc3c2CN2CCC1C(CCO)C2
InChIInChI=1S/C17H20N2O2/c20-8-6-11-9-19-7-5-12(11)17(21)16-14(10-19)13-3-1-2-4-15(13)18-16/h1-4,11-12,18,20H,5-10H2
InChIKeyLAJNTYQROFEHKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.18
Rot. Bonds2

About 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one

14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one (PubChem CID 155524071) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one.

Molecular Properties

Compound Name14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
PubChem CID155524071
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
SMILESO=C1c2[nH]c3ccccc3c2CN2CCC1C(CCO)C2
InChIInChI=1S/C17H20N2O2/c20-8-6-11-9-19-7-5-12(11)17(21)16-14(10-19)13-3-1-2-4-15(13)18-16/h1-4,11-12,18,20H,5-10H2
InChIKeyLAJNTYQROFEHKF-UHFFFAOYSA-N
XLogP2.18
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(14Z)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
CID 71308180
(5R)-5-ethyl-4-(2-hydroxyethyl)-7-methyl-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-one
CID 177482511
1-cyclobutyl-2,3,4,9-tetrahydro-1H-carbazole
CID 91153684
2-[(15R)-1-(hydroxymethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-yl]ethanol
CID 156569422
(2S,3aR)-2,3,3a,4,9,10-hexahydro-1H-indolizino[6,7-b]indole-2-carboxylic acid
CID 97297670
sodium 2-(2-sulfonatosulfanylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 23706000
1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-16-carboxylic acid
CID 71238916
1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
CID 21223288
methyl 4-(1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-oxobutanoate
CID 110666295
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
CID 163002483
ethyl 2-(2-ethoxy-2-oxoethyl)-1-oxo-2,3,4,9-tetrahydrocarbazole-3-carboxylate
CID 156612660

Frequently Asked Questions

What is the IUPAC name of 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one?
The IUPAC name of 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one (CID 155524071) is 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one.
What is the SMILES notation for 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one?
The canonical SMILES for 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one is O=C1c2[nH]c3ccccc3c2CN2CCC1C(CCO)C2.
What is the InChIKey of 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one?
The InChIKey is LAJNTYQROFEHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-8-6-11-9-19-7-5-12(11)17(21)16-14(10-19)13-3-1-2-4-15(13)18-16/h1-4,11-12,18,20H,5-10H2.
What are the key properties of 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one?
14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one has a molecular weight of 284.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-hydroxyethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one is sourced from PubChem (CID 155524071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).