4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one

C22H19ClN4O2 — CID 166064078

IUPAC4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one
SMILESO=C(c1cn2c3ccccc3c(=O)n(Cc3ccccc3Cl)c2n1)N1CCCC1
InChIInChI=1S/C22H19ClN4O2/c23-17-9-3-1-7-15(17)13-27-20(28)16-8-2-4-10-19(16)26-14-18(24-22(26)27)21(29)25-11-5-6-12-25/h1-4,7-10,14H,5-6,11-13H2
InChIKeyZFONVNNRMWBVQZ-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.59
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one

4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one (PubChem CID 166064078) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one
PubChem CID166064078
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one
SMILESO=C(c1cn2c3ccccc3c(=O)n(Cc3ccccc3Cl)c2n1)N1CCCC1
InChIInChI=1S/C22H19ClN4O2/c23-17-9-3-1-7-15(17)13-27-20(28)16-8-2-4-10-19(16)26-14-18(24-22(26)27)21(29)25-11-5-6-12-25/h1-4,7-10,14H,5-6,11-13H2
InChIKeyZFONVNNRMWBVQZ-UHFFFAOYSA-N
XLogP3.59
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one (CID 166064078) is 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one is O=C(c1cn2c3ccccc3c(=O)n(Cc3ccccc3Cl)c2n1)N1CCCC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one?
The InChIKey is ZFONVNNRMWBVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-17-9-3-1-7-15(17)13-27-20(28)16-8-2-4-10-19(16)26-14-18(24-22(26)27)21(29)25-11-5-6-12-25/h1-4,7-10,14H,5-6,11-13H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one?
4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one has a molecular weight of 406.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 166064078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).