(4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

C22H19N3O3 — CID 135452157

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C
InChIInChI=1S/C22H19N3O3/c1-3-16-13(2)20(14-8-4-6-10-17(14)23-16)22(27)28-12-19-24-18-11-7-5-9-15(18)21(26)25-19/h4-11H,3,12H2,1-2H3,(H,24,25,26)
InChIKeyUSKAZPQRLUJTAF-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.70
Rot. Bonds4

About (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

(4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 135452157) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID135452157
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C
InChIInChI=1S/C22H19N3O3/c1-3-16-13(2)20(14-8-4-6-10-17(14)23-16)22(27)28-12-19-24-18-11-7-5-9-15(18)21(26)25-19/h4-11H,3,12H2,1-2H3,(H,24,25,26)
InChIKeyUSKAZPQRLUJTAF-UHFFFAOYSA-N
XLogP3.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (CID 135452157) is (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is USKAZPQRLUJTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-16-13(2)20(14-8-4-6-10-17(14)23-16)22(27)28-12-19-24-18-11-7-5-9-15(18)21(26)25-19/h4-11H,3,12H2,1-2H3,(H,24,25,26).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 135452157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).