2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

C21H24N4O2 — CID 122423973

IUPAC2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(C2CC2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C21H24N4O2/c1-2-27-19-13-17(14-5-6-14)25-18-12-15(7-8-16(18)19)21(26)24-9-3-4-20-22-10-11-23-20/h7-8,10-14H,2-6,9H2,1H3,(H,22,23)(H,24,26)
InChIKeyDCYYKTOCUUHWBK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.60
Rot. Bonds8

About 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122423973) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122423973
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(C2CC2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C21H24N4O2/c1-2-27-19-13-17(14-5-6-14)25-18-12-15(7-8-16(18)19)21(26)24-9-3-4-20-22-10-11-23-20/h7-8,10-14H,2-6,9H2,1H3,(H,22,23)(H,24,26)
InChIKeyDCYYKTOCUUHWBK-UHFFFAOYSA-N
XLogP3.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[3-(1H-imidazol-2-yl)propyl]-1-methylbenzimidazole-5-carboxamide
CID 91793735
N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97200911
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 146259096
2-cyclobutyloxy-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 123784850
4-ethoxy-2-(4-fluorophenyl)-N-[[(1R,2R)-2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
CID 122424034
4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 134164669
N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 122431453
4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431466
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(2,4,5-trifluorophenyl)quinoxaline-6-carboxamide
CID 118463473

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (CID 122423973) is 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(C2CC2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is DCYYKTOCUUHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-27-19-13-17(14-5-6-14)25-18-12-15(7-8-16(18)19)21(26)24-9-3-4-20-22-10-11-23-20/h7-8,10-14H,2-6,9H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122423973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).