2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

C28H33N5O — CID 172895961

IUPAC2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCCn1ncc2cc(-c3cc(C(=O)NCCCN4CCCCC4C)c4ccccc4n3)ccc21
InChIInChI=1S/C28H33N5O/c1-3-33-27-13-12-21(17-22(27)19-30-33)26-18-24(23-10-4-5-11-25(23)31-26)28(34)29-14-8-16-32-15-7-6-9-20(32)2/h4-5,10-13,17-20H,3,6-9,14-16H2,1-2H3,(H,29,34)
InChIKeyDDZBQSAUFXVBJH-UHFFFAOYSA-N
MW455.61 g/mol
LogP5.27
Rot. Bonds7

About 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 172895961) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID172895961
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCCn1ncc2cc(-c3cc(C(=O)NCCCN4CCCCC4C)c4ccccc4n3)ccc21
InChIInChI=1S/C28H33N5O/c1-3-33-27-13-12-21(17-22(27)19-30-33)26-18-24(23-10-4-5-11-25(23)31-26)28(34)29-14-8-16-32-15-7-6-9-20(32)2/h4-5,10-13,17-20H,3,6-9,14-16H2,1-2H3,(H,29,34)
InChIKeyDDZBQSAUFXVBJH-UHFFFAOYSA-N
XLogP5.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749495
2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 15993577
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60516172
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 92879171
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(3,4-dimethylphenyl)-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide
CID 4519108
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
CID 50806128

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide (CID 172895961) is 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide is CCn1ncc2cc(-c3cc(C(=O)NCCCN4CCCCC4C)c4ccccc4n3)ccc21.
What is the InChIKey of 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is DDZBQSAUFXVBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-3-33-27-13-12-21(17-22(27)19-30-33)26-18-24(23-10-4-5-11-25(23)31-26)28(34)29-14-8-16-32-15-7-6-9-20(32)2/h4-5,10-13,17-20H,3,6-9,14-16H2,1-2H3,(H,29,34).
What are the key properties of 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 172895961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).