2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione

C23H19N3O3 — CID 11132806

IUPAC2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione
SMILESCC(C)C[C@@H]1N=C2c3ccccc3N=C(C3C(=O)c4ccccc4C3=O)N2C1=O
InChIInChI=1S/C23H19N3O3/c1-12(2)11-17-23(29)26-21(25-17)15-9-5-6-10-16(15)24-22(26)18-19(27)13-7-3-4-8-14(13)20(18)28/h3-10,12,17-18H,11H2,1-2H3/t17-/m0/s1
InChIKeyAQGJDJSLNNZAMH-KRWDZBQOSA-N
MW385.42 g/mol
LogP3.43
Rot. Bonds3

About 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione

2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione (PubChem CID 11132806) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione
PubChem CID11132806
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione
SMILESCC(C)C[C@@H]1N=C2c3ccccc3N=C(C3C(=O)c4ccccc4C3=O)N2C1=O
InChIInChI=1S/C23H19N3O3/c1-12(2)11-17-23(29)26-21(25-17)15-9-5-6-10-16(15)24-22(26)18-19(27)13-7-3-4-8-14(13)20(18)28/h3-10,12,17-18H,11H2,1-2H3/t17-/m0/s1
InChIKeyAQGJDJSLNNZAMH-KRWDZBQOSA-N
XLogP3.43
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione?
The IUPAC name of 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione (CID 11132806) is 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione?
The canonical SMILES for 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione is CC(C)C[C@@H]1N=C2c3ccccc3N=C(C3C(=O)c4ccccc4C3=O)N2C1=O.
What is the InChIKey of 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione?
The InChIKey is AQGJDJSLNNZAMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-12(2)11-17-23(29)26-21(25-17)15-9-5-6-10-16(15)24-22(26)18-19(27)13-7-3-4-8-14(13)20(18)28/h3-10,12,17-18H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione?
2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione has a molecular weight of 385.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]indene-1,3-dione is sourced from PubChem (CID 11132806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).