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

C20H22N4O3 — CID 67135366

IUPAC1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea
SMILESCOC1CCN2C(=O)c3cccc(NC(=O)Nc4ncccc4C)c3C2C1
InChIInChI=1S/C20H22N4O3/c1-12-5-4-9-21-18(12)23-20(26)22-15-7-3-6-14-17(15)16-11-13(27-2)8-10-24(16)19(14)25/h3-7,9,13,16H,8,10-11H2,1-2H3,(H2,21,22,23,26)
InChIKeyVZHXSJJDXKRQMN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.34
Rot. Bonds3

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

1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea (PubChem CID 67135366) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea
PubChem CID67135366
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea
SMILESCOC1CCN2C(=O)c3cccc(NC(=O)Nc4ncccc4C)c3C2C1
InChIInChI=1S/C20H22N4O3/c1-12-5-4-9-21-18(12)23-20(26)22-15-7-3-6-14-17(15)16-11-13(27-2)8-10-24(16)19(14)25/h3-7,9,13,16H,8,10-11H2,1-2H3,(H2,21,22,23,26)
InChIKeyVZHXSJJDXKRQMN-UHFFFAOYSA-N
XLogP3.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea (CID 67135366) is 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea is COC1CCN2C(=O)c3cccc(NC(=O)Nc4ncccc4C)c3C2C1.
What is the InChIKey of 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is VZHXSJJDXKRQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-5-4-9-21-18(12)23-20(26)22-15-7-3-6-14-17(15)16-11-13(27-2)8-10-24(16)19(14)25/h3-7,9,13,16H,8,10-11H2,1-2H3,(H2,21,22,23,26).
What are the key properties of 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea?
1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 366.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 67135366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).