1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea

C16H17N3O2 — CID 108913317

IUPAC1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea
SMILESO=C(NC=C1CCOCC1)Nc1cccc2cccnc12
InChIInChI=1S/C16H17N3O2/c20-16(18-11-12-6-9-21-10-7-12)19-14-5-1-3-13-4-2-8-17-15(13)14/h1-5,8,11H,6-7,9-10H2,(H2,18,19,20)
InChIKeyNPQGJURBTWFMNW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds2

About 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea

1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea (PubChem CID 108913317) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea
PubChem CID108913317
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea
SMILESO=C(NC=C1CCOCC1)Nc1cccc2cccnc12
InChIInChI=1S/C16H17N3O2/c20-16(18-11-12-6-9-21-10-7-12)19-14-5-1-3-13-4-2-8-17-15(13)14/h1-5,8,11H,6-7,9-10H2,(H2,18,19,20)
InChIKeyNPQGJURBTWFMNW-UHFFFAOYSA-N
XLogP3.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
5-morpholin-4-yl-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109276722
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
1-[[(2R,4S)-2-methyloxan-4-yl]methyl]-3-quinolin-8-ylurea
CID 97255277

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea (CID 108913317) is 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea is O=C(NC=C1CCOCC1)Nc1cccc2cccnc12.
What is the InChIKey of 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea?
The InChIKey is NPQGJURBTWFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(18-11-12-6-9-21-10-7-12)19-14-5-1-3-13-4-2-8-17-15(13)14/h1-5,8,11H,6-7,9-10H2,(H2,18,19,20).
What are the key properties of 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea?
1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea has a molecular weight of 283.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 108913317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).