propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate

C20H20FN3O3 — CID 19367610

IUPACpropan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate
SMILESCC(C)OC(=O)C1CCc2[nH]c(=O)n3cc(-c4cccc(F)c4)nc3c2C1
InChIInChI=1S/C20H20FN3O3/c1-11(2)27-19(25)13-6-7-16-15(9-13)18-22-17(10-24(18)20(26)23-16)12-4-3-5-14(21)8-12/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,23,26)
InChIKeyINYBNKUZNCHILX-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.89
Rot. Bonds3

About propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate

propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate (PubChem CID 19367610) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate
PubChem CID19367610
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Namepropan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate
SMILESCC(C)OC(=O)C1CCc2[nH]c(=O)n3cc(-c4cccc(F)c4)nc3c2C1
InChIInChI=1S/C20H20FN3O3/c1-11(2)27-19(25)13-6-7-16-15(9-13)18-22-17(10-24(18)20(26)23-16)12-4-3-5-14(21)8-12/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,23,26)
InChIKeyINYBNKUZNCHILX-UHFFFAOYSA-N
XLogP2.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate?
The IUPAC name of propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate (CID 19367610) is propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate.
What is the SMILES notation for propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate?
The canonical SMILES for propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate is CC(C)OC(=O)C1CCc2[nH]c(=O)n3cc(-c4cccc(F)c4)nc3c2C1.
What is the InChIKey of propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate?
The InChIKey is INYBNKUZNCHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-11(2)27-19(25)13-6-7-16-15(9-13)18-22-17(10-24(18)20(26)23-16)12-4-3-5-14(21)8-12/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,23,26).
What are the key properties of propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate?
propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylate is sourced from PubChem (CID 19367610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).