4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide

C18H20N4O3 — CID 78887675

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)Nc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C18H20N4O3/c1-18(2)16(24)22(17(25)21-18)10-4-6-15(23)20-13-7-8-14-12(11-13)5-3-9-19-14/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyMIKQZFQMRDYMPM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.28
Rot. Bonds5

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide (PubChem CID 78887675) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
PubChem CID78887675
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)Nc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C18H20N4O3/c1-18(2)16(24)22(17(25)21-18)10-4-6-15(23)20-13-7-8-14-12(11-13)5-3-9-19-14/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyMIKQZFQMRDYMPM-UHFFFAOYSA-N
XLogP2.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide (CID 78887675) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide is CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3ncccc3c2)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide?
The InChIKey is MIKQZFQMRDYMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(2)16(24)22(17(25)21-18)10-4-6-15(23)20-13-7-8-14-12(11-13)5-3-9-19-14/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide has a molecular weight of 340.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide is sourced from PubChem (CID 78887675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).