N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide

C21H20ClN3O2 — CID 134106621

IUPACN-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20ClN3O2/c1-21(2,3)25(24-19(26)15-9-11-16(22)12-10-15)20(27)17-8-4-6-14-7-5-13-23-18(14)17/h4-13H,1-3H3,(H,24,26)
InChIKeyFDQAAJHOMVFWPW-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.47
Rot. Bonds2

About N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide

N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide (PubChem CID 134106621) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
PubChem CID134106621
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20ClN3O2/c1-21(2,3)25(24-19(26)15-9-11-16(22)12-10-15)20(27)17-8-4-6-14-7-5-13-23-18(14)17/h4-13H,1-3H3,(H,24,26)
InChIKeyFDQAAJHOMVFWPW-UHFFFAOYSA-N
XLogP4.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
1-tert-butyl-1-[(4-chlorobenzoyl)amino]-3-(3-methyl-2-pyridinyl)urea
CID 140969444
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
CID 67913113
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
2-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400792
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide (CID 134106621) is N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide is CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide?
The InChIKey is FDQAAJHOMVFWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-21(2,3)25(24-19(26)15-9-11-16(22)12-10-15)20(27)17-8-4-6-14-7-5-13-23-18(14)17/h4-13H,1-3H3,(H,24,26).
What are the key properties of N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide?
N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide has a molecular weight of 381.86 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide is sourced from PubChem (CID 134106621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).