1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C18H22N4O3 — CID 47761371

IUPAC1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NCCC(=O)N2CCCc3ccccc32)no1
InChIInChI=1S/C18H22N4O3/c1-13-11-15(21-25-13)12-20-18(24)19-9-8-17(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,11H,4,6,8-10,12H2,1H3,(H2,19,20,24)
InChIKeyRYLJGKCDCLOGSB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.15
Rot. Bonds5

About 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47761371) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47761371
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NCCC(=O)N2CCCc3ccccc32)no1
InChIInChI=1S/C18H22N4O3/c1-13-11-15(21-25-13)12-20-18(24)19-9-8-17(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,11H,4,6,8-10,12H2,1H3,(H2,19,20,24)
InChIKeyRYLJGKCDCLOGSB-UHFFFAOYSA-N
XLogP2.15
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea with MolForge

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Related Compounds

N-[2-(4-benzylpiperazino)ethyl]-N'-(3,5-dimethyl-4-isoxazolyl)urea
CID 2811077
3,5-Dimethyl-isoxazole-4-carboxylic acid cyclohexylcarbamoylmethyl-m-tolyl-amide
CID 651038
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24793278
N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 71919244
N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 84586587
4-[[1-(4,5-Dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1-methylquinolin-2-one
CID 90644469
4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682478
4-[[1-(4,5-dimethylisoxazole-3-carbonyl)-4-piperidyl]amino]-6,7-difluoro-1H-quinolin-2-one
CID 90682482
4-benzyl-N-(3,5-dimethyl-4-isoxazolyl)tetrahydro-1(2H)-pyrazinecarboxamide
CID 2810866
(6-methyl-3,4-dihydroquinolin-1(2H)-yl)(5-methyl-1,2-oxazol-3-yl)methanone
CID 2971466
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-5,6-difluoro-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)quinazolin-2-one
CID 25184220
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 129625938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47761371) is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)NCCC(=O)N2CCCc3ccccc32)no1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is RYLJGKCDCLOGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-11-15(21-25-13)12-20-18(24)19-9-8-17(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,11H,4,6,8-10,12H2,1H3,(H2,19,20,24).
What are the key properties of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47761371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).