2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one

C19H16N2O2 — CID 12884007

IUPAC2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
SMILESCn1c2c(c(=O)c3ccccc31)CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H16N2O2/c1-20-16-10-6-5-9-14(16)18(22)15-11-21(12-17(15)20)19(23)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyLCCBJYTXVVFFSB-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.69
Rot. Bonds1

About 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one

2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one (PubChem CID 12884007) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
PubChem CID12884007
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
SMILESCn1c2c(c(=O)c3ccccc31)CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H16N2O2/c1-20-16-10-6-5-9-14(16)18(22)15-11-21(12-17(15)20)19(23)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyLCCBJYTXVVFFSB-UHFFFAOYSA-N
XLogP2.69
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
CID 6539922
(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089107
2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
CID 113089930
2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 43866445
2-amino-1-methyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 13143651
4-benzoylmorpholine-2,6-dione
CID 53273549
(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089087
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
1-(4-phenylbenzoyl)azetidin-3-one
CID 67288829
N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 113089986
methyl 5-(2-benzoyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)pentanoate
CID 175679386
2-benzoyl-1,3-dihydroisoquinolin-4-one
CID 15740840

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one (CID 12884007) is 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one is Cn1c2c(c(=O)c3ccccc31)CN(C(=O)c1ccccc1)C2.
What is the InChIKey of 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one?
The InChIKey is LCCBJYTXVVFFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-20-16-10-6-5-9-14(16)18(22)15-11-21(12-17(15)20)19(23)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one?
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one has a molecular weight of 304.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 12884007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).