1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea

C22H33N3O3 — CID 648529

IUPAC1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea
SMILESCCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC
InChIInChI=1S/C22H33N3O3/c1-6-24(7-2)22(27)25(10-9-11-28-8-3)15-19-14-18-13-16(4)12-17(5)20(18)23-21(19)26/h12-14H,6-11,15H2,1-5H3,(H,23,26)
InChIKeyCKPXLXBRKAINGX-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.84
Rot. Bonds9

About 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea

1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea (PubChem CID 648529) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea.

Molecular Properties

Compound Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea
PubChem CID648529
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea
SMILESCCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC
InChIInChI=1S/C22H33N3O3/c1-6-24(7-2)22(27)25(10-9-11-28-8-3)15-19-14-18-13-16(4)12-17(5)20(18)23-21(19)26/h12-14H,6-11,15H2,1-5H3,(H,23,26)
InChIKeyCKPXLXBRKAINGX-UHFFFAOYSA-N
XLogP3.84
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea?
The IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea (CID 648529) is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea.
What is the SMILES notation for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea?
The canonical SMILES for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea is CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC.
What is the InChIKey of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea?
The InChIKey is CKPXLXBRKAINGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-6-24(7-2)22(27)25(10-9-11-28-8-3)15-19-14-18-13-16(4)12-17(5)20(18)23-21(19)26/h12-14H,6-11,15H2,1-5H3,(H,23,26).
What are the key properties of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea?
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea has a molecular weight of 387.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-ethoxypropyl)-3,3-diethylurea is sourced from PubChem (CID 648529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).