3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium

C18H15N2O2Y- — CID 147984932

IUPAC3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium
SMILESCc1[c-]cc2c(c1)C(=O)C1(O)CCN(c3ccccc3)C1=N2.[Y]
InChIInChI=1S/C18H15N2O2.Y/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13;/h2-6,8,11,22H,9-10H2,1H3;/q-1;
InChIKeyOECISZCPVUKPNQ-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.66
Rot. Bonds1

About 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium

3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium (PubChem CID 147984932) has the molecular formula C18H15N2O2Y- and a molecular weight of 380.24 g/mol. Its IUPAC name is 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium.

Molecular Properties

Compound Name3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium
PubChem CID147984932
Molecular FormulaC18H15N2O2Y-
Molecular Weight380.24 g/mol
Exact Mass380.02
IUPAC Name3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium
SMILESCc1[c-]cc2c(c1)C(=O)C1(O)CCN(c3ccccc3)C1=N2.[Y]
InChIInChI=1S/C18H15N2O2.Y/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13;/h2-6,8,11,22H,9-10H2,1H3;/q-1;
InChIKeyOECISZCPVUKPNQ-UHFFFAOYSA-N
XLogP2.66
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium?
The IUPAC name of 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium (CID 147984932) is 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium.
What is the SMILES notation for 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium?
The canonical SMILES for 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium is Cc1[c-]cc2c(c1)C(=O)C1(O)CCN(c3ccccc3)C1=N2.[Y].
What is the InChIKey of 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium?
The InChIKey is OECISZCPVUKPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O2.Y/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13;/h2-6,8,11,22H,9-10H2,1H3;/q-1;.
What are the key properties of 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium?
3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium has a molecular weight of 380.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-hydroxy-6-methyl-1-phenyl-3,7-dihydro-2H-pyrrolo[2,3-b]quinolin-7-id-4-one;yttrium is sourced from PubChem (CID 147984932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).