1-propyl-3-quinolin-8-ylurea

C13H15N3O — CID 13078451

IUPAC1-propyl-3-quinolin-8-ylurea
SMILESCCCNC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H15N3O/c1-2-8-15-13(17)16-11-7-3-5-10-6-4-9-14-12(10)11/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
InChIKeyPHGNZQTYUCEFCZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.77
Rot. Bonds3

About 1-propyl-3-quinolin-8-ylurea

1-propyl-3-quinolin-8-ylurea (PubChem CID 13078451) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-propyl-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-propyl-3-quinolin-8-ylurea
PubChem CID13078451
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-propyl-3-quinolin-8-ylurea
SMILESCCCNC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H15N3O/c1-2-8-15-13(17)16-11-7-3-5-10-6-4-9-14-12(10)11/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
InChIKeyPHGNZQTYUCEFCZ-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate
CID 118422332
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
N-quinolin-8-ylundecanamide
CID 3567928
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-(4-hydroxy-2,2-dimethylpentyl)-3-quinolin-8-ylurea
CID 111473382

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-quinolin-8-ylurea?
The IUPAC name of 1-propyl-3-quinolin-8-ylurea (CID 13078451) is 1-propyl-3-quinolin-8-ylurea.
What is the SMILES notation for 1-propyl-3-quinolin-8-ylurea?
The canonical SMILES for 1-propyl-3-quinolin-8-ylurea is CCCNC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-propyl-3-quinolin-8-ylurea?
The InChIKey is PHGNZQTYUCEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-8-15-13(17)16-11-7-3-5-10-6-4-9-14-12(10)11/h3-7,9H,2,8H2,1H3,(H2,15,16,17).
What are the key properties of 1-propyl-3-quinolin-8-ylurea?
1-propyl-3-quinolin-8-ylurea has a molecular weight of 229.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-quinolin-8-ylurea is sourced from PubChem (CID 13078451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).