N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide

C17H18N4O4 — CID 67689486

IUPACN-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide
SMILESCOc1cc(OCCCNC(=O)c2ncc[nH]2)cc2ccc(=O)[nH]c12
InChIInChI=1S/C17H18N4O4/c1-24-13-10-12(9-11-3-4-14(22)21-15(11)13)25-8-2-5-20-17(23)16-18-6-7-19-16/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,19)(H,20,23)(H,21,22)
InChIKeyOVCNMVDINZWRLJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.46
Rot. Bonds7

About N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide

N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide (PubChem CID 67689486) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide
PubChem CID67689486
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide
SMILESCOc1cc(OCCCNC(=O)c2ncc[nH]2)cc2ccc(=O)[nH]c12
InChIInChI=1S/C17H18N4O4/c1-24-13-10-12(9-11-3-4-14(22)21-15(11)13)25-8-2-5-20-17(23)16-18-6-7-19-16/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,19)(H,20,23)(H,21,22)
InChIKeyOVCNMVDINZWRLJ-UHFFFAOYSA-N
XLogP1.46
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenoxy]propyl]-1H-imidazole-2-carboxamide
CID 46926982
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
N-butyl-6-methoxy-1H-benzimidazole-2-carboxamide
CID 69198696
N-[3-(4-fluorophenoxy)propyl]-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110307304
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
5-methoxy-N-(3-methoxypropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 71692302
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874

Frequently Asked Questions

What is the IUPAC name of N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide (CID 67689486) is N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide is COc1cc(OCCCNC(=O)c2ncc[nH]2)cc2ccc(=O)[nH]c12.
What is the InChIKey of N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide?
The InChIKey is OVCNMVDINZWRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-13-10-12(9-11-3-4-14(22)21-15(11)13)25-8-2-5-20-17(23)16-18-6-7-19-16/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,19)(H,20,23)(H,21,22).
What are the key properties of N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide?
N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8-methoxy-2-oxo-1H-quinolin-6-yl)oxy]propyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 67689486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).