1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea

C18H27N3O3 — CID 91911275

IUPAC1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
SMILESCCCN1C(=O)CCc2cc(NC(=O)NCCCOCC)ccc21
InChIInChI=1S/C18H27N3O3/c1-3-11-21-16-8-7-15(13-14(16)6-9-17(21)22)20-18(23)19-10-5-12-24-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H2,19,20,23)
InChIKeyXVZVSOKYGMGNCO-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.92
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea

1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea (PubChem CID 91911275) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
PubChem CID91911275
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
SMILESCCCN1C(=O)CCc2cc(NC(=O)NCCCOCC)ccc21
InChIInChI=1S/C18H27N3O3/c1-3-11-21-16-8-7-15(13-14(16)6-9-17(21)22)20-18(23)19-10-5-12-24-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H2,19,20,23)
InChIKeyXVZVSOKYGMGNCO-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
2-amino-3-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 120994000
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid
CID 122090477
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea (CID 91911275) is 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea is CCCN1C(=O)CCc2cc(NC(=O)NCCCOCC)ccc21.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea?
The InChIKey is XVZVSOKYGMGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-11-21-16-8-7-15(13-14(16)6-9-17(21)22)20-18(23)19-10-5-12-24-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea?
1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea has a molecular weight of 333.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea is sourced from PubChem (CID 91911275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).