2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide

C20H18ClN3O4 — CID 134099161

IUPAC2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(Cl)c(C(=O)NNC(=O)c2cccc(O)c2)c(=O)c2ccccc21
InChIInChI=1S/C20H18ClN3O4/c1-2-10-24-15-9-4-3-8-14(15)17(26)16(18(24)21)20(28)23-22-19(27)12-6-5-7-13(25)11-12/h3-9,11,25H,2,10H2,1H3,(H,22,27)(H,23,28)
InChIKeyYZQSSJIIUUXRMT-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide

2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide (PubChem CID 134099161) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide
PubChem CID134099161
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(Cl)c(C(=O)NNC(=O)c2cccc(O)c2)c(=O)c2ccccc21
InChIInChI=1S/C20H18ClN3O4/c1-2-10-24-15-9-4-3-8-14(15)17(26)16(18(24)21)20(28)23-22-19(27)12-6-5-7-13(25)11-12/h3-9,11,25H,2,10H2,1H3,(H,22,27)(H,23,28)
InChIKeyYZQSSJIIUUXRMT-UHFFFAOYSA-N
XLogP2.85
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide?
The IUPAC name of 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide (CID 134099161) is 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide.
What is the SMILES notation for 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide?
The canonical SMILES for 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide is CCCn1c(Cl)c(C(=O)NNC(=O)c2cccc(O)c2)c(=O)c2ccccc21.
What is the InChIKey of 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide?
The InChIKey is YZQSSJIIUUXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-2-10-24-15-9-4-3-8-14(15)17(26)16(18(24)21)20(28)23-22-19(27)12-6-5-7-13(25)11-12/h3-9,11,25H,2,10H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide?
2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide has a molecular weight of 399.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide is sourced from PubChem (CID 134099161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).