1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate

C20H15N3O3 — CID 135881200

IUPAC1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H15N3O3/c1-12(18-22-16-9-5-3-7-14(16)19(24)23-18)26-20(25)17-11-10-13-6-2-4-8-15(13)21-17/h2-12H,1H3,(H,22,23,24)
InChIKeyJHJNMSRVNQJBJC-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate

1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate (PubChem CID 135881200) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate.

Molecular Properties

Compound Name1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
PubChem CID135881200
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H15N3O3/c1-12(18-22-16-9-5-3-7-14(16)19(24)23-18)26-20(25)17-11-10-13-6-2-4-8-15(13)21-17/h2-12H,1H3,(H,22,23,24)
InChIKeyJHJNMSRVNQJBJC-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] pyridine-2-carboxylate
CID 135583374
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2-fluorobenzoate
CID 135906623
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
CID 135582910
1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate
CID 135665500
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 135780900
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(dimethylamino)benzoate
CID 136833624
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 5-chlorothiophene-2-carboxylate
CID 135831337
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 135720306
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate
CID 135739614

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate?
The IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate (CID 135881200) is 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate.
What is the SMILES notation for 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate?
The canonical SMILES for 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate is CC(OC(=O)c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate?
The InChIKey is JHJNMSRVNQJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12(18-22-16-9-5-3-7-14(16)19(24)23-18)26-20(25)17-11-10-13-6-2-4-8-15(13)21-17/h2-12H,1H3,(H,22,23,24).
What are the key properties of 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate?
1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate is sourced from PubChem (CID 135881200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).