(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate

C15H13N3O3 — CID 123693373

IUPAC(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate
SMILESO=C1CN(OC(=O)c2ccccc2)Cc2ncccc2N1
InChIInChI=1S/C15H13N3O3/c19-14-10-18(9-13-12(17-14)7-4-8-16-13)21-15(20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,19)
InChIKeyQKDPIBUAHTZYDW-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.61
Rot. Bonds2

About (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate

(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate (PubChem CID 123693373) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate.

Molecular Properties

Compound Name(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate
PubChem CID123693373
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate
SMILESO=C1CN(OC(=O)c2ccccc2)Cc2ncccc2N1
InChIInChI=1S/C15H13N3O3/c19-14-10-18(9-13-12(17-14)7-4-8-16-13)21-15(20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,19)
InChIKeyQKDPIBUAHTZYDW-UHFFFAOYSA-N
XLogP1.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate?
The IUPAC name of (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate (CID 123693373) is (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate.
What is the SMILES notation for (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate?
The canonical SMILES for (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate is O=C1CN(OC(=O)c2ccccc2)Cc2ncccc2N1.
What is the InChIKey of (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate?
The InChIKey is QKDPIBUAHTZYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14-10-18(9-13-12(17-14)7-4-8-16-13)21-15(20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,19).
What are the key properties of (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate?
(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate has a molecular weight of 283.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate is sourced from PubChem (CID 123693373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).