N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C21H20N4O3 — CID 37423414

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc21
InChIInChI=1S/C21H20N4O3/c26-19-3-1-2-18-16(19)10-17(21(28)24-18)20(27)23-11-14-4-6-15(7-5-14)12-25-9-8-22-13-25/h4-10,13H,1-3,11-12H2,(H,23,27)(H,24,28)
InChIKeyILFUFNVYKWQBDO-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.07
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 37423414) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID37423414
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc21
InChIInChI=1S/C21H20N4O3/c26-19-3-1-2-18-16(19)10-17(21(28)24-18)20(27)23-11-14-4-6-15(7-5-14)12-25-9-8-22-13-25/h4-10,13H,1-3,11-12H2,(H,23,27)(H,24,28)
InChIKeyILFUFNVYKWQBDO-UHFFFAOYSA-N
XLogP2.07
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 60556379
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37486921
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 35859072
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 37423414) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc21.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ILFUFNVYKWQBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19-3-1-2-18-16(19)10-17(21(28)24-18)20(27)23-11-14-4-6-15(7-5-14)12-25-9-8-22-13-25/h4-10,13H,1-3,11-12H2,(H,23,27)(H,24,28).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 37423414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).