N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide

C21H20ClN3O2 — CID 26996817

IUPACN'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
SMILESCC(C)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H20ClN3O2/c1-13(2)19-12-17(16-5-3-4-6-18(16)23-19)21(27)25-24-20(26)11-14-7-9-15(22)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDWLZAFIHPCSNDQ-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.02
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide (PubChem CID 26996817) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
PubChem CID26996817
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
SMILESCC(C)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H20ClN3O2/c1-13(2)19-12-17(16-5-3-4-6-18(16)23-19)21(27)25-24-20(26)11-14-7-9-15(22)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDWLZAFIHPCSNDQ-UHFFFAOYSA-N
XLogP4.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
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-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-(2-aminopropoxy)-2-propan-2-ylquinoline-4-carboxamide
CID 146077349
2-(2-propan-2-ylquinolin-4-yl)acetic acid
CID 82081543
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide (CID 26996817) is N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide is CC(C)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide?
The InChIKey is DWLZAFIHPCSNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(2)19-12-17(16-5-3-4-6-18(16)23-19)21(27)25-24-20(26)11-14-7-9-15(22)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide has a molecular weight of 381.86 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 26996817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).