N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide

C18H15N3O4 — CID 39848788

IUPACN'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H15N3O4/c1-25-15-9-5-3-7-12(15)17(23)20-21-18(24)13-10-19-14-8-4-2-6-11(14)16(13)22/h2-10H,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyKSUAQXVKUGEQAQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.61
Rot. Bonds3

About N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide

N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 39848788) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID39848788
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H15N3O4/c1-25-15-9-5-3-7-12(15)17(23)20-21-18(24)13-10-19-14-8-4-2-6-11(14)16(13)22/h2-10H,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyKSUAQXVKUGEQAQ-UHFFFAOYSA-N
XLogP1.61
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.61
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

4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455952
3-(1H-indol-3-yl)-2-[(2-methoxybenzoyl)amino]propanoic acid
CID 6611948
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide (CID 39848788) is N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide is COc1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is KSUAQXVKUGEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-15-9-5-3-7-12(15)17(23)20-21-18(24)13-10-19-14-8-4-2-6-11(14)16(13)22/h2-10H,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 337.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 39848788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).