5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide

C19H16N4O3 — CID 167788059

IUPAC5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide
SMILESO=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C19H16N4O3/c24-16-7-3-4-11-10-12(8-9-13(11)16)17(25)22-23-19-20-15-6-2-1-5-14(15)18(26)21-19/h1-2,5-6,8-10H,3-4,7H2,(H,22,25)(H2,20,21,23,26)
InChIKeyBAOPGDVOBYEQFD-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.20
Rot. Bonds3

About 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide

5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide (PubChem CID 167788059) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide
PubChem CID167788059
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide
SMILESO=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C19H16N4O3/c24-16-7-3-4-11-10-12(8-9-13(11)16)17(25)22-23-19-20-15-6-2-1-5-14(15)18(26)21-19/h1-2,5-6,8-10H,3-4,7H2,(H,22,25)(H2,20,21,23,26)
InChIKeyBAOPGDVOBYEQFD-UHFFFAOYSA-N
XLogP2.20
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide?
The IUPAC name of 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide (CID 167788059) is 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide.
What is the SMILES notation for 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide?
The canonical SMILES for 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide is O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2=O.
What is the InChIKey of 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide?
The InChIKey is BAOPGDVOBYEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-16-7-3-4-11-10-12(8-9-13(11)16)17(25)22-23-19-20-15-6-2-1-5-14(15)18(26)21-19/h1-2,5-6,8-10H,3-4,7H2,(H,22,25)(H2,20,21,23,26).
What are the key properties of 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide?
5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide has a molecular weight of 348.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide is sourced from PubChem (CID 167788059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).