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

C21H21N3O4 — CID 26621825

IUPACN'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-3-12-28-18-11-9-15(13-19(18)27-2)20(25)23-24-21(26)17-10-8-14-6-4-5-7-16(14)22-17/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDYGNYIAPTYEAEQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.11
Rot. Bonds6

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

N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide (PubChem CID 26621825) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
PubChem CID26621825
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-3-12-28-18-11-9-15(13-19(18)27-2)20(25)23-24-21(26)17-10-8-14-6-4-5-7-16(14)22-17/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDYGNYIAPTYEAEQ-UHFFFAOYSA-N
XLogP3.11
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.11
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-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 29266283
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 35066726
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443132
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
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)quinoline-2-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide (CID 26621825) is N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
The InChIKey is DYGNYIAPTYEAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-12-28-18-11-9-15(13-19(18)27-2)20(25)23-24-21(26)17-10-8-14-6-4-5-7-16(14)22-17/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide has a molecular weight of 379.42 g/mol, XLogP of 3.11, 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)quinoline-2-carbohydrazide is sourced from PubChem (CID 26621825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).