N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide

C19H17ClN4O3 — CID 14892420

IUPACN'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
SMILESCOc1ccc(Nc2cc(C(=O)NNC(=O)CCl)c3ccccc3n2)cc1
InChIInChI=1S/C19H17ClN4O3/c1-27-13-8-6-12(7-9-13)21-17-10-15(19(26)24-23-18(25)11-20)14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyRWDDQZZYOCQDMA-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.99
Rot. Bonds5

About N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide

N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide (PubChem CID 14892420) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
PubChem CID14892420
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
SMILESCOc1ccc(Nc2cc(C(=O)NNC(=O)CCl)c3ccccc3n2)cc1
InChIInChI=1S/C19H17ClN4O3/c1-27-13-8-6-12(7-9-13)21-17-10-15(19(26)24-23-18(25)11-20)14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyRWDDQZZYOCQDMA-UHFFFAOYSA-N
XLogP2.99
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
2-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 126458298
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 20854497
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
CID 5070932
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide (CID 14892420) is N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide is COc1ccc(Nc2cc(C(=O)NNC(=O)CCl)c3ccccc3n2)cc1.
What is the InChIKey of N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide?
The InChIKey is RWDDQZZYOCQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-27-13-8-6-12(7-9-13)21-17-10-15(19(26)24-23-18(25)11-20)14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide?
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide has a molecular weight of 384.82 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide is sourced from PubChem (CID 14892420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).