2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one

C14H14N2O — CID 67211643

IUPAC2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one
SMILESCC(C)n1cc2c(=O)[nH]c3ccccc3c2c1
InChIInChI=1S/C14H14N2O/c1-9(2)16-7-11-10-5-3-4-6-13(10)15-14(17)12(11)8-16/h3-9H,1-2H3,(H,15,17)
InChIKeyUQOLKSPWBXOUTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.06
Rot. Bonds1

About 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one

2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one (PubChem CID 67211643) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one
PubChem CID67211643
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one
SMILESCC(C)n1cc2c(=O)[nH]c3ccccc3c2c1
InChIInChI=1S/C14H14N2O/c1-9(2)16-7-11-10-5-3-4-6-13(10)15-14(17)12(11)8-16/h3-9H,1-2H3,(H,15,17)
InChIKeyUQOLKSPWBXOUTC-UHFFFAOYSA-N
XLogP3.06
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-5H-phenanthridin-6-one
CID 102200304
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
4H-diazeto[3,4-c]quinolin-3-one
CID 136619278
bromomethane;9H-carbazole
CID 67594562
3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
CID 3117151
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one (CID 67211643) is 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one is CC(C)n1cc2c(=O)[nH]c3ccccc3c2c1.
What is the InChIKey of 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one?
The InChIKey is UQOLKSPWBXOUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(2)16-7-11-10-5-3-4-6-13(10)15-14(17)12(11)8-16/h3-9H,1-2H3,(H,15,17).
What are the key properties of 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one?
2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one has a molecular weight of 226.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 67211643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).