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

C22H27N3O2 — CID 30376456

IUPAC1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
SMILESCCCN1C(=O)CCc2cc(NC(=O)NCCCc3ccccc3)ccc21
InChIInChI=1S/C22H27N3O2/c1-2-15-25-20-12-11-19(16-18(20)10-13-21(25)26)24-22(27)23-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,16H,2,6,9-10,13-15H2,1H3,(H2,23,24,27)
InChIKeyOBUDVUFMVOLXJD-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.13
Rot. Bonds7

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

1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea (PubChem CID 30376456) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
PubChem CID30376456
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
SMILESCCCN1C(=O)CCc2cc(NC(=O)NCCCc3ccccc3)ccc21
InChIInChI=1S/C22H27N3O2/c1-2-15-25-20-12-11-19(16-18(20)10-13-21(25)26)24-22(27)23-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,16H,2,6,9-10,13-15H2,1H3,(H2,23,24,27)
InChIKeyOBUDVUFMVOLXJD-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
CID 91911275
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-2-phenoxybenzamide
CID 16926746
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
CID 122088702

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea (CID 30376456) is 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea is CCCN1C(=O)CCc2cc(NC(=O)NCCCc3ccccc3)ccc21.
What is the InChIKey of 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea?
The InChIKey is OBUDVUFMVOLXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-15-25-20-12-11-19(16-18(20)10-13-21(25)26)24-22(27)23-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,16H,2,6,9-10,13-15H2,1H3,(H2,23,24,27).
What are the key properties of 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea?
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea has a molecular weight of 365.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 30376456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).