2-(3-butoxyphenyl)quinoline-4-carbohydrazide

C20H21N3O2 — CID 3492380

IUPAC2-(3-butoxyphenyl)quinoline-4-carbohydrazide
SMILESCCCCOc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1
InChIInChI=1S/C20H21N3O2/c1-2-3-11-25-15-8-6-7-14(12-15)19-13-17(20(24)23-21)16-9-4-5-10-18(16)22-19/h4-10,12-13H,2-3,11,21H2,1H3,(H,23,24)
InChIKeyYDJARPOSGISVPM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.68
Rot. Bonds6

About 2-(3-butoxyphenyl)quinoline-4-carbohydrazide

2-(3-butoxyphenyl)quinoline-4-carbohydrazide (PubChem CID 3492380) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(3-butoxyphenyl)quinoline-4-carbohydrazide
PubChem CID3492380
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(3-butoxyphenyl)quinoline-4-carbohydrazide
SMILESCCCCOc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1
InChIInChI=1S/C20H21N3O2/c1-2-3-11-25-15-8-6-7-14(12-15)19-13-17(20(24)23-21)16-9-4-5-10-18(16)22-19/h4-10,12-13H,2-3,11,21H2,1H3,(H,23,24)
InChIKeyYDJARPOSGISVPM-UHFFFAOYSA-N
XLogP3.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-1-ethylthiourea
CID 22301212
2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 56692982
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
1-butyl-3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]amino]urea
CID 11838247
2-(3-butoxyphenyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6873333
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
methyl 5-methyl-4-phenyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 17384714
2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
CID 5222667

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(3-butoxyphenyl)quinoline-4-carbohydrazide (CID 3492380) is 2-(3-butoxyphenyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(3-butoxyphenyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(3-butoxyphenyl)quinoline-4-carbohydrazide is CCCCOc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-butoxyphenyl)quinoline-4-carbohydrazide?
The InChIKey is YDJARPOSGISVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-3-11-25-15-8-6-7-14(12-15)19-13-17(20(24)23-21)16-9-4-5-10-18(16)22-19/h4-10,12-13H,2-3,11,21H2,1H3,(H,23,24).
What are the key properties of 2-(3-butoxyphenyl)quinoline-4-carbohydrazide?
2-(3-butoxyphenyl)quinoline-4-carbohydrazide has a molecular weight of 335.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 3492380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).