N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide

C28H36N4O3 — CID 58673621

IUPACN-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide
SMILESCC(C)CCN1C(=O)C(C(=O)Nc2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)C(O)c2ccccc21
InChIInChI=1S/C28H36N4O3/c1-16(2)7-8-32-21-6-4-3-5-20(21)24(33)23(26(32)35)25(34)31-27-29-15-22(30-27)28-12-17-9-18(13-28)11-19(10-17)14-28/h3-6,15-19,23-24,33H,7-14H2,1-2H3,(H2,29,30,31,34)
InChIKeyTZOAXLGWSNJCJZ-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.56
Rot. Bonds6

About N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide

N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide (PubChem CID 58673621) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide
PubChem CID58673621
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide
SMILESCC(C)CCN1C(=O)C(C(=O)Nc2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)C(O)c2ccccc21
InChIInChI=1S/C28H36N4O3/c1-16(2)7-8-32-21-6-4-3-5-20(21)24(33)23(26(32)35)25(34)31-27-29-15-22(30-27)28-12-17-9-18(13-28)11-19(10-17)14-28/h3-6,15-19,23-24,33H,7-14H2,1-2H3,(H2,29,30,31,34)
InChIKeyTZOAXLGWSNJCJZ-UHFFFAOYSA-N
XLogP4.56
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The IUPAC name of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide (CID 58673621) is N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide is CC(C)CCN1C(=O)C(C(=O)Nc2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)C(O)c2ccccc21.
What is the InChIKey of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The InChIKey is TZOAXLGWSNJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-16(2)7-8-32-21-6-4-3-5-20(21)24(33)23(26(32)35)25(34)31-27-29-15-22(30-27)28-12-17-9-18(13-28)11-19(10-17)14-28/h3-6,15-19,23-24,33H,7-14H2,1-2H3,(H2,29,30,31,34).
What are the key properties of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide?
N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 58673621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).