(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one

C15H19N3O — CID 122390271

IUPAC(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
SMILESCCC1N[C@@H](C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C15H19N3O/c1-4-12-17-13(9(2)3)14-16-11-8-6-5-7-10(11)15(19)18(12)14/h5-9,12-13,17H,4H2,1-3H3/t12?,13-/m0/s1
InChIKeyUISZVXLWDIMPKV-ABLWVSNPSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds2

About (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one

(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one (PubChem CID 122390271) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
PubChem CID122390271
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
SMILESCCC1N[C@@H](C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C15H19N3O/c1-4-12-17-13(9(2)3)14-16-11-8-6-5-7-10(11)15(19)18(12)14/h5-9,12-13,17H,4H2,1-3H3/t12?,13-/m0/s1
InChIKeyUISZVXLWDIMPKV-ABLWVSNPSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one with MolForge

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Related Compounds

(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 135453196
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
4-[2-hydroxy-2-(5-oxo-1-phenyl-4-propan-2-ylimidazolidin-2-yl)propyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 163027497
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 101162946
(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
CID 16681423
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 100927225
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10992108
1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 156641715
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
The IUPAC name of (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one (CID 122390271) is (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one.
What is the SMILES notation for (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
The canonical SMILES for (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one is CCC1N[C@@H](C(C)C)c2nc3ccccc3c(=O)n21.
What is the InChIKey of (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
The InChIKey is UISZVXLWDIMPKV-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-12-17-13(9(2)3)14-16-11-8-6-5-7-10(11)15(19)18(12)14/h5-9,12-13,17H,4H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one has a molecular weight of 257.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 122390271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).