isoquinolin-8-ylurea

C10H9N3O — CID 67363282

IUPACisoquinolin-8-ylurea
SMILESNC(=O)Nc1cccc2ccncc12
InChIInChI=1S/C10H9N3O/c11-10(14)13-9-3-1-2-7-4-5-12-6-8(7)9/h1-6H,(H3,11,13,14)
InChIKeyGTLJOGPPYKFRBZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.73
Rot. Bonds1

About isoquinolin-8-ylurea

isoquinolin-8-ylurea (PubChem CID 67363282) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is isoquinolin-8-ylurea.

Molecular Properties

Compound Nameisoquinolin-8-ylurea
PubChem CID67363282
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Nameisoquinolin-8-ylurea
SMILESNC(=O)Nc1cccc2ccncc12
InChIInChI=1S/C10H9N3O/c11-10(14)13-9-3-1-2-7-4-5-12-6-8(7)9/h1-6H,(H3,11,13,14)
InChIKeyGTLJOGPPYKFRBZ-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Aminoisoquinoline
CID 70766
5-Aminoquinoline
CID 11911
4-Aminoquinoline
CID 68476
2-Pyridin-3-yl-2,3-dihydro-1H-perimidine
CID 256661
A-425619
CID 8068410
1,3-Di-6-quinolylurea
CID 68281
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-phenylcyclopentyl]urea
CID 66551086
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 68313317
6-Aminoisoquinoline
CID 588991
Isoquinolin-8-amine
CID 13927912
N-[1-(4-tert-butylphenyl)ethyl]-N'-5-isoquinolinylurea
CID 9975006
N-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 9977590

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-ylurea?
The IUPAC name of isoquinolin-8-ylurea (CID 67363282) is isoquinolin-8-ylurea.
What is the SMILES notation for isoquinolin-8-ylurea?
The canonical SMILES for isoquinolin-8-ylurea is NC(=O)Nc1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-ylurea?
The InChIKey is GTLJOGPPYKFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(14)13-9-3-1-2-7-4-5-12-6-8(7)9/h1-6H,(H3,11,13,14).
What are the key properties of isoquinolin-8-ylurea?
isoquinolin-8-ylurea has a molecular weight of 187.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-ylurea is sourced from PubChem (CID 67363282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).