3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

C22H19N3O2 — CID 166784546

IUPAC3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
SMILESCc1cc(C)c2c(c1)N=C1N(c3ccc4ncccc4c3)CCC1(O)C2=O
InChIInChI=1S/C22H19N3O2/c1-13-10-14(2)19-18(11-13)24-21-22(27,20(19)26)7-9-25(21)16-5-6-17-15(12-16)4-3-8-23-17/h3-6,8,10-12,27H,7,9H2,1-2H3
InChIKeyIXOCNNWQKCTWNZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.72
Rot. Bonds1

About 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one (PubChem CID 166784546) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
PubChem CID166784546
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
SMILESCc1cc(C)c2c(c1)N=C1N(c3ccc4ncccc4c3)CCC1(O)C2=O
InChIInChI=1S/C22H19N3O2/c1-13-10-14(2)19-18(11-13)24-21-22(27,20(19)26)7-9-25(21)16-5-6-17-15(12-16)4-3-8-23-17/h3-6,8,10-12,27H,7,9H2,1-2H3
InChIKeyIXOCNNWQKCTWNZ-UHFFFAOYSA-N
XLogP3.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 166784533
(3aS)-3a-hydroxy-6-methyl-1-(2-methylquinolin-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 148715088
1-(1,2,3-benzothiadiazol-6-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 166784522
(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1H-indol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 156697055
[4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]phenyl]phosphonic acid
CID 130277434
N'-[4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]-2-pyridinyl]methanimidamide
CID 158452831
(3aS)-3a-hydroxy-7-methyl-1-phenyl-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 176733611
4-[(3aS)-6-fluoro-3a-hydroxy-7-methyl-4-oxo-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzaldehyde
CID 166787456
azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 69028906
3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
CID 64969768
6-methylquinoline
CID 7059
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775

Frequently Asked Questions

What is the IUPAC name of 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
The IUPAC name of 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one (CID 166784546) is 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one.
What is the SMILES notation for 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
The canonical SMILES for 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one is Cc1cc(C)c2c(c1)N=C1N(c3ccc4ncccc4c3)CCC1(O)C2=O.
What is the InChIKey of 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
The InChIKey is IXOCNNWQKCTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-10-14(2)19-18(11-13)24-21-22(27,20(19)26)7-9-25(21)16-5-6-17-15(12-16)4-3-8-23-17/h3-6,8,10-12,27H,7,9H2,1-2H3.
What are the key properties of 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one has a molecular weight of 357.41 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one is sourced from PubChem (CID 166784546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).