3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate

C26H27N5O2 — CID 167367180

IUPAC3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3nccc(C(=O)OCCCN4CCCC4)c3c2)n1
InChIInChI=1S/C26H27N5O2/c1-18-6-4-7-23(30-18)25-24(28-17-29-25)19-8-9-22-21(16-19)20(10-11-27-22)26(32)33-15-5-14-31-12-2-3-13-31/h4,6-11,16-17H,2-3,5,12-15H2,1H3,(H,28,29)
InChIKeyQGVXODXIFBBAIA-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.64
Rot. Bonds7

About 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate

3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate (PubChem CID 167367180) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate
PubChem CID167367180
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3nccc(C(=O)OCCCN4CCCC4)c3c2)n1
InChIInChI=1S/C26H27N5O2/c1-18-6-4-7-23(30-18)25-24(28-17-29-25)19-8-9-22-21(16-19)20(10-11-27-22)26(32)33-15-5-14-31-12-2-3-13-31/h4,6-11,16-17H,2-3,5,12-15H2,1H3,(H,28,29)
InChIKeyQGVXODXIFBBAIA-UHFFFAOYSA-N
XLogP4.64
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-4-carboxylate
CID 167366460
2-pyrrolidin-1-ylethyl 6-[4-[(4E,6Z)-nona-4,6-dien-1-yn-4-yl]-1H-imidazol-5-yl]quinoline-4-carboxylate
CID 156743935
3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
CID 156744201
[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
CID 167366794
4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-2-carboxylic acid
CID 167367237
azetidin-3-ylmethyl 4-[7-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]naphthalen-2-yl]pyridine-2-carboxylate
CID 167367080
3-piperidin-1-ylpropyl 1H-benzimidazole-4-carboxylate
CID 15544726
2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 167366803
N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine
CID 167366616
3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 167367234
azetidin-3-ylmethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]piperazin-2-yl]acetate
CID 167366888
3-[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-5-yl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 167366837

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate?
The IUPAC name of 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate (CID 167367180) is 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate.
What is the SMILES notation for 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate?
The canonical SMILES for 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate is Cc1cccc(-c2[nH]cnc2-c2ccc3nccc(C(=O)OCCCN4CCCC4)c3c2)n1.
What is the InChIKey of 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate?
The InChIKey is QGVXODXIFBBAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-6-4-7-23(30-18)25-24(28-17-29-25)19-8-9-22-21(16-19)20(10-11-27-22)26(32)33-15-5-14-31-12-2-3-13-31/h4,6-11,16-17H,2-3,5,12-15H2,1H3,(H,28,29).
What are the key properties of 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate?
3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate has a molecular weight of 441.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-4-carboxylate is sourced from PubChem (CID 167367180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).