1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea

C23H22N4O4 — CID 122187747

IUPAC1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](O)CCN2C3=O)nc2ccccc12
InChIInChI=1S/C23H22N4O4/c1-31-19-12-20(24-16-7-3-2-5-14(16)19)26-23(30)25-17-8-4-6-15-21(17)18-11-13(28)9-10-27(18)22(15)29/h2-8,12-13,18,28H,9-11H2,1H3,(H2,24,25,26,30)/t13-,18+/m1/s1
InChIKeyITGLTDQKVCYKND-ACJLOTCBSA-N
MW418.45 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea

1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea (PubChem CID 122187747) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea.

Molecular Properties

Compound Name1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
PubChem CID122187747
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](O)CCN2C3=O)nc2ccccc12
InChIInChI=1S/C23H22N4O4/c1-31-19-12-20(24-16-7-3-2-5-14(16)19)26-23(30)25-17-8-4-6-15-21(17)18-11-13(28)9-10-27(18)22(15)29/h2-8,12-13,18,28H,9-11H2,1H3,(H2,24,25,26,30)/t13-,18+/m1/s1
InChIKeyITGLTDQKVCYKND-ACJLOTCBSA-N
XLogP3.54
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methoxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67284820
1-(4-Methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
CID 67471492
N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162672139
2-(2,5-dimethoxyanilino)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide
CID 3243515
2-[(2-Methoxyphenyl)amino]-N-[3-(morpholin-4-YL)propyl]quinoline-4-carboxamide
CID 5308129
Ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 6622065
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990782
N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990784
1-benzyl-N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]indole-3-carboxamide
CID 44534338
1-(8-hydroxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 71452051
1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(6-methyl-2-pyridinyl)urea
CID 122187745
1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
CID 122187746

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
The IUPAC name of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea (CID 122187747) is 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea.
What is the SMILES notation for 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
The canonical SMILES for 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea is COc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](O)CCN2C3=O)nc2ccccc12.
What is the InChIKey of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
The InChIKey is ITGLTDQKVCYKND-ACJLOTCBSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-31-19-12-20(24-16-7-3-2-5-14(16)19)26-23(30)25-17-8-4-6-15-21(17)18-11-13(28)9-10-27(18)22(15)29/h2-8,12-13,18,28H,9-11H2,1H3,(H2,24,25,26,30)/t13-,18+/m1/s1.
What are the key properties of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea has a molecular weight of 418.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea is sourced from PubChem (CID 122187747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).