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

C22H20N4O2 — CID 46909409

IUPAC1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea
SMILESO=C(Nc1ccc2ccccc2n1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C22H20N4O2/c27-21-15-7-5-9-17(20(15)18-10-3-4-13-26(18)21)24-22(28)25-19-12-11-14-6-1-2-8-16(14)23-19/h1-2,5-9,11-12,18H,3-4,10,13H2,(H2,23,24,25,28)
InChIKeyAWEGSLJDAPXFHZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.56
Rot. Bonds2

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

1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea (PubChem CID 46909409) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea
PubChem CID46909409
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea
SMILESO=C(Nc1ccc2ccccc2n1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C22H20N4O2/c27-21-15-7-5-9-17(20(15)18-10-3-4-13-26(18)21)24-22(28)25-19-12-11-14-6-1-2-8-16(14)23-19/h1-2,5-9,11-12,18H,3-4,10,13H2,(H2,23,24,25,28)
InChIKeyAWEGSLJDAPXFHZ-UHFFFAOYSA-N
XLogP4.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea?
The IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea (CID 46909409) is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea.
What is the SMILES notation for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea?
The canonical SMILES for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea is O=C(Nc1ccc2ccccc2n1)Nc1cccc2c1C1CCCCN1C2=O.
What is the InChIKey of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea?
The InChIKey is AWEGSLJDAPXFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-15-7-5-9-17(20(15)18-10-3-4-13-26(18)21)24-22(28)25-19-12-11-14-6-1-2-8-16(14)23-19/h1-2,5-9,11-12,18H,3-4,10,13H2,(H2,23,24,25,28).
What are the key properties of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea?
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea has a molecular weight of 372.43 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-quinolin-2-ylurea is sourced from PubChem (CID 46909409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).