benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate

C23H19N3O3 — CID 23878226

IUPACbenzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)n1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C23H19N3O3/c1-16(23(28)29-15-17-8-3-2-4-9-17)26-21(18-10-7-13-24-14-18)25-20-12-6-5-11-19(20)22(26)27/h2-14,16H,15H2,1H3
InChIKeyDKMPJZWMIYBREM-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.76
Rot. Bonds5

About benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate

benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate (PubChem CID 23878226) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
PubChem CID23878226
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namebenzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)n1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C23H19N3O3/c1-16(23(28)29-15-17-8-3-2-4-9-17)26-21(18-10-7-13-24-14-18)25-20-12-6-5-11-19(20)22(26)27/h2-14,16H,15H2,1H3
InChIKeyDKMPJZWMIYBREM-UHFFFAOYSA-N
XLogP3.76
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
The IUPAC name of benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate (CID 23878226) is benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate.
What is the SMILES notation for benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
The canonical SMILES for benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate is CC(C(=O)OCc1ccccc1)n1c(-c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
The InChIKey is DKMPJZWMIYBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16(23(28)29-15-17-8-3-2-4-9-17)26-21(18-10-7-13-24-14-18)25-20-12-6-5-11-19(20)22(26)27/h2-14,16H,15H2,1H3.
What are the key properties of benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate has a molecular weight of 385.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate is sourced from PubChem (CID 23878226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).