(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione

C19H27N3O3 — CID 11624373

IUPAC(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione
SMILESCCCCN1C(=O)N(C)[C@]2(CCCC)C(=O)Nc3ccccc3[C@]12O
InChIInChI=1S/C19H27N3O3/c1-4-6-12-18-16(23)20-15-11-9-8-10-14(15)19(18,25)22(13-7-5-2)17(24)21(18)3/h8-11,25H,4-7,12-13H2,1-3H3,(H,20,23)/t18-,19-/m1/s1
InChIKeyXGVZYCGVZPVHBU-RTBURBONSA-N
MW345.44 g/mol
LogP2.88
Rot. Bonds6

About (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione

(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione (PubChem CID 11624373) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione.

Molecular Properties

Compound Name(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione
PubChem CID11624373
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione
SMILESCCCCN1C(=O)N(C)[C@]2(CCCC)C(=O)Nc3ccccc3[C@]12O
InChIInChI=1S/C19H27N3O3/c1-4-6-12-18-16(23)20-15-11-9-8-10-14(15)19(18,25)22(13-7-5-2)17(24)21(18)3/h8-11,25H,4-7,12-13H2,1-3H3,(H,20,23)/t18-,19-/m1/s1
InChIKeyXGVZYCGVZPVHBU-RTBURBONSA-N
XLogP2.88
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione with MolForge

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Related Compounds

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(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione
CID 102480435
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CID 139192718
(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
CID 177489818
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
2-butyl-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777782
3-butyl-3-pentyl-1H-indol-2-one;1-methyl-4-propoxybenzene
CID 168997238

Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione?
The IUPAC name of (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione (CID 11624373) is (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione.
What is the SMILES notation for (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione?
The canonical SMILES for (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione is CCCCN1C(=O)N(C)[C@]2(CCCC)C(=O)Nc3ccccc3[C@]12O.
What is the InChIKey of (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione?
The InChIKey is XGVZYCGVZPVHBU-RTBURBONSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-6-12-18-16(23)20-15-11-9-8-10-14(15)19(18,25)22(13-7-5-2)17(24)21(18)3/h8-11,25H,4-7,12-13H2,1-3H3,(H,20,23)/t18-,19-/m1/s1.
What are the key properties of (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione?
(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione is sourced from PubChem (CID 11624373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).