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

C19H18N4O2 — CID 155949167

IUPACN'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H18N4O2/c24-17(14-10-9-12-5-1-2-6-13(12)11-14)22-23-19-20-16-8-4-3-7-15(16)18(25)21-19/h3-4,7-11H,1-2,5-6H2,(H,22,24)(H2,20,21,23,25)
InChIKeyMBZYBQJTYPIOAB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.56
Rot. Bonds3

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

N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 155949167) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID155949167
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H18N4O2/c24-17(14-10-9-12-5-1-2-6-13(12)11-14)22-23-19-20-16-8-4-3-7-15(16)18(25)21-19/h3-4,7-11H,1-2,5-6H2,(H,22,24)(H2,20,21,23,25)
InChIKeyMBZYBQJTYPIOAB-UHFFFAOYSA-N
XLogP2.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N'-(4-oxo-3H-quinazolin-2-yl)-7,8-dihydro-6H-naphthalene-2-carbohydrazide
CID 167788059
1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
CID 154840665
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9328814
N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703574
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 167978506
N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide
CID 135408350
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057

Frequently Asked Questions

What is the IUPAC name of N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 155949167) is N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is MBZYBQJTYPIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-17(14-10-9-12-5-1-2-6-13(12)11-14)22-23-19-20-16-8-4-3-7-15(16)18(25)21-19/h3-4,7-11H,1-2,5-6H2,(H,22,24)(H2,20,21,23,25).
What are the key properties of N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 334.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 155949167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).