6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

C14H14N2O — CID 164969621

IUPAC6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCC(C)c1ccc2cc3c(nc2c1)CNC3=O
InChIInChI=1S/C14H14N2O/c1-8(2)9-3-4-10-5-11-13(7-15-14(11)17)16-12(10)6-9/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyCSQZBDAZSSMFII-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.60
Rot. Bonds1

About 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (PubChem CID 164969621) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
PubChem CID164969621
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCC(C)c1ccc2cc3c(nc2c1)CNC3=O
InChIInChI=1S/C14H14N2O/c1-8(2)9-3-4-10-5-11-13(7-15-14(11)17)16-12(10)6-9/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyCSQZBDAZSSMFII-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 140533295
2,8-di(propan-2-yl)phenazine
CID 70800003
benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
CID 155732217
(3S)-3-methyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004844
2-methoxy-7-propan-2-ylquinoline
CID 58290673
7-propan-2-yl-3-pyridin-3-ylquinolin-2-amine
CID 155185229
(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline
CID 165056031
2-iodo-7-propan-2-ylquinoline
CID 155701301
2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 165015366
2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
CID 504591
(3R)-3-cyclobutyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004848
7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]
CID 155362858

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (CID 164969621) is 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is CC(C)c1ccc2cc3c(nc2c1)CNC3=O.
What is the InChIKey of 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The InChIKey is CSQZBDAZSSMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-8(2)9-3-4-10-5-11-13(7-15-14(11)17)16-12(10)6-9/h3-6,8H,7H2,1-2H3,(H,15,17).
What are the key properties of 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 164969621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).