1-(2-hydroxypropyl)-3-quinolin-8-ylurea

C13H15N3O2 — CID 47032842

IUPAC1-(2-hydroxypropyl)-3-quinolin-8-ylurea
SMILESCC(O)CNC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H15N3O2/c1-9(17)8-15-13(18)16-11-6-2-4-10-5-3-7-14-12(10)11/h2-7,9,17H,8H2,1H3,(H2,15,16,18)
InChIKeySHENAZADMNUPGS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.74
Rot. Bonds3

About 1-(2-hydroxypropyl)-3-quinolin-8-ylurea

1-(2-hydroxypropyl)-3-quinolin-8-ylurea (PubChem CID 47032842) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-quinolin-8-ylurea
PubChem CID47032842
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(2-hydroxypropyl)-3-quinolin-8-ylurea
SMILESCC(O)CNC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H15N3O2/c1-9(17)8-15-13(18)16-11-6-2-4-10-5-3-7-14-12(10)11/h2-7,9,17H,8H2,1H3,(H2,15,16,18)
InChIKeySHENAZADMNUPGS-UHFFFAOYSA-N
XLogP1.74
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-quinolin-8-ylurea
CID 111473382
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
(2S)-3-methyl-2-(phenylcarbamoylamino)-N-quinolin-8-ylbutanamide
CID 9107572
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
CID 175955746
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(2-hydroxypropyl)-3-quinolin-8-ylurea (CID 47032842) is 1-(2-hydroxypropyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-quinolin-8-ylurea is CC(O)CNC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-(2-hydroxypropyl)-3-quinolin-8-ylurea?
The InChIKey is SHENAZADMNUPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)8-15-13(18)16-11-6-2-4-10-5-3-7-14-12(10)11/h2-7,9,17H,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxypropyl)-3-quinolin-8-ylurea?
1-(2-hydroxypropyl)-3-quinolin-8-ylurea has a molecular weight of 245.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 47032842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).