N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide

C22H23N3O4 — CID 26621803

IUPACN'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C22H23N3O4/c1-4-11-29-19-10-9-15(13-20(19)28-3)21(26)24-25-22(27)17-12-14(2)23-18-8-6-5-7-16(17)18/h5-10,12-13H,4,11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVYZUZYQILNNQDC-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.42
Rot. Bonds6

About N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide

N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide (PubChem CID 26621803) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
PubChem CID26621803
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C22H23N3O4/c1-4-11-29-19-10-9-15(13-20(19)28-3)21(26)24-25-22(27)17-12-14(2)23-18-8-6-5-7-16(17)18/h5-10,12-13H,4,11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVYZUZYQILNNQDC-UHFFFAOYSA-N
XLogP3.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
CID 26784395
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide
CID 30376532
3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide
CID 24514993
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide (CID 26621803) is N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide?
The InChIKey is VYZUZYQILNNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-11-29-19-10-9-15(13-20(19)28-3)21(26)24-25-22(27)17-12-14(2)23-18-8-6-5-7-16(17)18/h5-10,12-13H,4,11H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide has a molecular weight of 393.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide is sourced from PubChem (CID 26621803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).