1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea

C14H17N3O2 — CID 110909304

IUPAC1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
SMILESO=C(NCCCO)NCc1cccc2cccnc12
InChIInChI=1S/C14H17N3O2/c18-9-3-8-16-14(19)17-10-12-5-1-4-11-6-2-7-15-13(11)12/h1-2,4-7,18H,3,8-10H2,(H2,16,17,19)
InChIKeyONEXOBBBSMPCMP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea

1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea (PubChem CID 110909304) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
PubChem CID110909304
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
SMILESO=C(NCCCO)NCc1cccc2cccnc12
InChIInChI=1S/C14H17N3O2/c18-9-3-8-16-14(19)17-10-12-5-1-4-11-6-2-7-15-13(11)12/h1-2,4-7,18H,3,8-10H2,(H2,16,17,19)
InChIKeyONEXOBBBSMPCMP-UHFFFAOYSA-N
XLogP1.42
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 86864145
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
N-cyclohexyl-2-(quinolin-8-ylmethylcarbamoylamino)acetamide
CID 51099740

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea (CID 110909304) is 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea is O=C(NCCCO)NCc1cccc2cccnc12.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea?
The InChIKey is ONEXOBBBSMPCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-9-3-8-16-14(19)17-10-12-5-1-4-11-6-2-7-15-13(11)12/h1-2,4-7,18H,3,8-10H2,(H2,16,17,19).
What are the key properties of 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea?
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 110909304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).