2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide

C19H20N4O4 — CID 91768467

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C19H20N4O4/c24-14-6-12(7-14)18(13-5-11-3-1-2-4-15(11)20-8-13)22-16(25)10-23-17(26)9-21-19(23)27/h1-5,8,12,14,18,24H,6-7,9-10H2,(H,21,27)(H,22,25)
InChIKeyANFWHHKGHMCEHC-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.71
Rot. Bonds5

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide (PubChem CID 91768467) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
PubChem CID91768467
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C19H20N4O4/c24-14-6-12(7-14)18(13-5-11-3-1-2-4-15(11)20-8-13)22-16(25)10-23-17(26)9-21-19(23)27/h1-5,8,12,14,18,24H,6-7,9-10H2,(H,21,27)(H,22,25)
InChIKeyANFWHHKGHMCEHC-UHFFFAOYSA-N
XLogP0.71
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide (CID 91768467) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide is O=C(CN1C(=O)CNC1=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide?
The InChIKey is ANFWHHKGHMCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-14-6-12(7-14)18(13-5-11-3-1-2-4-15(11)20-8-13)22-16(25)10-23-17(26)9-21-19(23)27/h1-5,8,12,14,18,24H,6-7,9-10H2,(H,21,27)(H,22,25).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide is sourced from PubChem (CID 91768467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).