N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide

C26H25N5O3 — CID 24513988

IUPACN'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C26H25N5O3/c1-3-30(4-2)20-13-9-18(10-14-20)24(32)28-29-25(33)19-11-15-21(16-12-19)31-17-27-23-8-6-5-7-22(23)26(31)34/h5-17H,3-4H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFWIXICYLRZRCPA-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.31
Rot. Bonds6

About N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide

N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide (PubChem CID 24513988) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
PubChem CID24513988
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C26H25N5O3/c1-3-30(4-2)20-13-9-18(10-14-20)24(32)28-29-25(33)19-11-15-21(16-12-19)31-17-27-23-8-6-5-7-22(23)26(31)34/h5-17H,3-4H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFWIXICYLRZRCPA-UHFFFAOYSA-N
XLogP3.31
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
5-methyl-N'-[4-(4-oxoquinazolin-3-yl)benzoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 71685627
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
CID 24553245
4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369967
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide?
The IUPAC name of N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide (CID 24513988) is N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide.
What is the SMILES notation for N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide?
The canonical SMILES for N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide?
The InChIKey is FWIXICYLRZRCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-3-30(4-2)20-13-9-18(10-14-20)24(32)28-29-25(33)19-11-15-21(16-12-19)31-17-27-23-8-6-5-7-22(23)26(31)34/h5-17H,3-4H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide?
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide has a molecular weight of 455.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide is sourced from PubChem (CID 24513988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).