1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

C22H20N4O3 — CID 71452051

IUPAC1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESO=C(Nc1ccc2cccc(O)c2n1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C22H20N4O3/c27-17-9-3-5-13-10-11-18(24-20(13)17)25-22(29)23-15-7-4-6-14-19(15)16-8-1-2-12-26(16)21(14)28/h3-7,9-11,16,27H,1-2,8,12H2,(H2,23,24,25,29)
InChIKeyKCPAFVTXXDJECR-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.27
Rot. Bonds2

About 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 71452051) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID71452051
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESO=C(Nc1ccc2cccc(O)c2n1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C22H20N4O3/c27-17-9-3-5-13-10-11-18(24-20(13)17)25-22(29)23-15-7-4-6-14-19(15)16-8-1-2-12-26(16)21(14)28/h3-7,9-11,16,27H,1-2,8,12H2,(H2,23,24,25,29)
InChIKeyKCPAFVTXXDJECR-UHFFFAOYSA-N
XLogP4.27
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 71452051) is 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.
What is the SMILES notation for 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is O=C(Nc1ccc2cccc(O)c2n1)Nc1cccc2c1C1CCCCN1C2=O.
What is the InChIKey of 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is KCPAFVTXXDJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-17-9-3-5-13-10-11-18(24-20(13)17)25-22(29)23-15-7-4-6-14-19(15)16-8-1-2-12-26(16)21(14)28/h3-7,9-11,16,27H,1-2,8,12H2,(H2,23,24,25,29).
What are the key properties of 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 388.43 g/mol, XLogP of 4.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 71452051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).