2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide

C20H19N5O — CID 154837239

IUPAC2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccc2cn[nH]c2c1)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C20H19N5O/c26-20(12-14-5-6-16-13-23-25-18(16)11-14)22-10-9-21-19-8-7-15-3-1-2-4-17(15)24-19/h1-8,11,13H,9-10,12H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyGVFKWFMDTIXQES-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.88
Rot. Bonds6

About 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide

2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide (PubChem CID 154837239) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
PubChem CID154837239
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccc2cn[nH]c2c1)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C20H19N5O/c26-20(12-14-5-6-16-13-23-25-18(16)11-14)22-10-9-21-19-8-7-15-3-1-2-4-17(15)24-19/h1-8,11,13H,9-10,12H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyGVFKWFMDTIXQES-UHFFFAOYSA-N
XLogP2.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 125463812
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 122142659
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 71991073
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
CID 99794548
2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide
CID 99854148
5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 126840990

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide (CID 154837239) is 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide is O=C(Cc1ccc2cn[nH]c2c1)NCCNc1ccc2ccccc2n1.
What is the InChIKey of 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The InChIKey is GVFKWFMDTIXQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(12-14-5-6-16-13-23-25-18(16)11-14)22-10-9-21-19-8-7-15-3-1-2-4-17(15)24-19/h1-8,11,13H,9-10,12H2,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 154837239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).