3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one

C19H20N2O2 — CID 170023179

IUPAC3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one
SMILESCC1(C)C=C2N=C3N(c4ccccc4)CCC3(O)C(=O)C2=CC1
InChIInChI=1S/C19H20N2O2/c1-18(2)9-8-14-15(12-18)20-17-19(23,16(14)22)10-11-21(17)13-6-4-3-5-7-13/h3-8,12,23H,9-11H2,1-2H3
InChIKeyRDRCKBDXASHLMO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds1

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

3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one (PubChem CID 170023179) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one
PubChem CID170023179
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one
SMILESCC1(C)C=C2N=C3N(c4ccccc4)CCC3(O)C(=O)C2=CC1
InChIInChI=1S/C19H20N2O2/c1-18(2)9-8-14-15(12-18)20-17-19(23,16(14)22)10-11-21(17)13-6-4-3-5-7-13/h3-8,12,23H,9-11H2,1-2H3
InChIKeyRDRCKBDXASHLMO-UHFFFAOYSA-N
XLogP2.85
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one?
The IUPAC name of 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one (CID 170023179) is 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one.
What is the SMILES notation for 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one?
The canonical SMILES for 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one is CC1(C)C=C2N=C3N(c4ccccc4)CCC3(O)C(=O)C2=CC1.
What is the InChIKey of 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one?
The InChIKey is RDRCKBDXASHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-18(2)9-8-14-15(12-18)20-17-19(23,16(14)22)10-11-21(17)13-6-4-3-5-7-13/h3-8,12,23H,9-11H2,1-2H3.
What are the key properties of 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one?
3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-hydroxy-7,7-dimethyl-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]quinolin-4-one is sourced from PubChem (CID 170023179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).