(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione

C16H18N2O2 — CID 10378435

IUPAC(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
SMILESCC[C@@H](C)[C@@H]1NC(=O)c2cc3ccc(=O)cc-3n(C)c21
InChIInChI=1S/C16H18N2O2/c1-4-9(2)14-15-12(16(20)17-14)7-10-5-6-11(19)8-13(10)18(15)3/h5-9,14H,4H2,1-3H3,(H,17,20)/t9-,14+/m1/s1
InChIKeyGTNBOKIWQUJZFH-OTYXRUKQSA-N
MW270.33 g/mol
LogP2.32
Rot. Bonds2

About (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione

(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione (PubChem CID 10378435) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione.

Molecular Properties

Compound Name(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
PubChem CID10378435
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
SMILESCC[C@@H](C)[C@@H]1NC(=O)c2cc3ccc(=O)cc-3n(C)c21
InChIInChI=1S/C16H18N2O2/c1-4-9(2)14-15-12(16(20)17-14)7-10-5-6-11(19)8-13(10)18(15)3/h5-9,14H,4H2,1-3H3,(H,17,20)/t9-,14+/m1/s1
InChIKeyGTNBOKIWQUJZFH-OTYXRUKQSA-N
XLogP2.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione with MolForge

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Related Compounds

(3R)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 10061683
(3R)-3-[(2S)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 163194998
7-(dimethylamino)-3,4-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
CID 176468600
N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56808777
2-bromo-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018732
N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018733
2-amino-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018734
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018744
2-bromo-N-[2-(methylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018746
N-[2-(dimethylamino)ethyl]-11-methyl-8-oxo-4a,10a-dihydro-4H-pyrido[3,2-a]carbazole-5-carboxamide
CID 172021712
N-[2-(dimethylamino)ethyl]-11-methyl-8-oxo-4a,10a-dihydro-4H-pyrido[3,2-a]carbazole-5-carboxamide;hydrochloride
CID 172021829
carbanide;1-methyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)
CID 18685828

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione?
The IUPAC name of (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione (CID 10378435) is (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione.
What is the SMILES notation for (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione?
The canonical SMILES for (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione is CC[C@@H](C)[C@@H]1NC(=O)c2cc3ccc(=O)cc-3n(C)c21.
What is the InChIKey of (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione?
The InChIKey is GTNBOKIWQUJZFH-OTYXRUKQSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-9(2)14-15-12(16(20)17-14)7-10-5-6-11(19)8-13(10)18(15)3/h5-9,14H,4H2,1-3H3,(H,17,20)/t9-,14+/m1/s1.
What are the key properties of (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione?
(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione has a molecular weight of 270.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione is sourced from PubChem (CID 10378435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).