6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one

C20H18N4O2 — CID 141372884

IUPAC6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one
SMILESCCCn1c(C)nc2ccc(C(=O)c3ncc4ccccn34)cc2c1=O
InChIInChI=1S/C20H18N4O2/c1-3-9-23-13(2)22-17-8-7-14(11-16(17)20(23)26)18(25)19-21-12-15-6-4-5-10-24(15)19/h4-8,10-12H,3,9H2,1-2H3
InChIKeyXDCTWPXKVMFKNH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.99
Rot. Bonds4

About 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one

6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one (PubChem CID 141372884) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one
PubChem CID141372884
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one
SMILESCCCn1c(C)nc2ccc(C(=O)c3ncc4ccccn34)cc2c1=O
InChIInChI=1S/C20H18N4O2/c1-3-9-23-13(2)22-17-8-7-14(11-16(17)20(23)26)18(25)19-21-12-15-6-4-5-10-24(15)19/h4-8,10-12H,3,9H2,1-2H3
InChIKeyXDCTWPXKVMFKNH-UHFFFAOYSA-N
XLogP2.99
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one?
The IUPAC name of 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one (CID 141372884) is 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one.
What is the SMILES notation for 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one?
The canonical SMILES for 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one is CCCn1c(C)nc2ccc(C(=O)c3ncc4ccccn34)cc2c1=O.
What is the InChIKey of 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one?
The InChIKey is XDCTWPXKVMFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-3-9-23-13(2)22-17-8-7-14(11-16(17)20(23)26)18(25)19-21-12-15-6-4-5-10-24(15)19/h4-8,10-12H,3,9H2,1-2H3.
What are the key properties of 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one?
6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one has a molecular weight of 346.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one is sourced from PubChem (CID 141372884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).