prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate

C16H17N3O3 — CID 118422332

IUPACprop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate
SMILESC=C(C)OC(=O)CCNC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H17N3O3/c1-11(2)22-14(20)8-10-18-16(21)19-13-7-3-5-12-6-4-9-17-15(12)13/h3-7,9H,1,8,10H2,2H3,(H2,18,19,21)
InChIKeyFWENMPMGOISSRS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.82
Rot. Bonds5

About prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate

prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate (PubChem CID 118422332) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate.

Molecular Properties

Compound Nameprop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate
PubChem CID118422332
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Nameprop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate
SMILESC=C(C)OC(=O)CCNC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H17N3O3/c1-11(2)22-14(20)8-10-18-16(21)19-13-7-3-5-12-6-4-9-17-15(12)13/h3-7,9H,1,8,10H2,2H3,(H2,18,19,21)
InChIKeyFWENMPMGOISSRS-UHFFFAOYSA-N
XLogP2.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-quinolin-8-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 48768630

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate?
The IUPAC name of prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate (CID 118422332) is prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate.
What is the SMILES notation for prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate?
The canonical SMILES for prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate is C=C(C)OC(=O)CCNC(=O)Nc1cccc2cccnc12.
What is the InChIKey of prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate?
The InChIKey is FWENMPMGOISSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(2)22-14(20)8-10-18-16(21)19-13-7-3-5-12-6-4-9-17-15(12)13/h3-7,9H,1,8,10H2,2H3,(H2,18,19,21).
What are the key properties of prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate?
prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate has a molecular weight of 299.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate is sourced from PubChem (CID 118422332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).