N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide

C27H20N4O2 — CID 42386438

IUPACN'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C27H20N4O2/c32-26(16-19-10-7-9-18-8-1-2-11-20(18)19)30-31-27(33)22-17-25(24-14-5-6-15-28-24)29-23-13-4-3-12-21(22)23/h1-15,17H,16H2,(H,30,32)(H,31,33)
InChIKeyPHTZMBXMKCTBNV-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.45
Rot. Bonds4

About N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide

N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide (PubChem CID 42386438) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
PubChem CID42386438
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC NameN'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C27H20N4O2/c32-26(16-19-10-7-9-18-8-1-2-11-20(18)19)30-31-27(33)22-17-25(24-14-5-6-15-28-24)29-23-13-4-3-12-21(22)23/h1-15,17H,16H2,(H,30,32)(H,31,33)
InChIKeyPHTZMBXMKCTBNV-UHFFFAOYSA-N
XLogP4.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 55685382
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775351
N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
CID 30454501
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide (CID 42386438) is N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The InChIKey is PHTZMBXMKCTBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c32-26(16-19-10-7-9-18-8-1-2-11-20(18)19)30-31-27(33)22-17-25(24-14-5-6-15-28-24)29-23-13-4-3-12-21(22)23/h1-15,17H,16H2,(H,30,32)(H,31,33).
What are the key properties of N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide has a molecular weight of 432.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 42386438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).