methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate

C22H20N2O4 — CID 151991831

IUPACmethyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate
SMILESCOC(=O)c1ccc2nc3c(c(=O)n2c1)CCCC3=Cc1ccccc1OC
InChIInChI=1S/C22H20N2O4/c1-27-18-9-4-3-6-14(18)12-15-7-5-8-17-20(15)23-19-11-10-16(22(26)28-2)13-24(19)21(17)25/h3-4,6,9-13H,5,7-8H2,1-2H3
InChIKeyUEVLPGKLFPGCMW-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.37
Rot. Bonds3

About methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate

methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate (PubChem CID 151991831) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate
PubChem CID151991831
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate
SMILESCOC(=O)c1ccc2nc3c(c(=O)n2c1)CCCC3=Cc1ccccc1OC
InChIInChI=1S/C22H20N2O4/c1-27-18-9-4-3-6-14(18)12-15-7-5-8-17-20(15)23-19-11-10-16(22(26)28-2)13-24(19)21(17)25/h3-4,6,9-13H,5,7-8H2,1-2H3
InChIKeyUEVLPGKLFPGCMW-UHFFFAOYSA-N
XLogP3.37
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate?
The IUPAC name of methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate (CID 151991831) is methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate.
What is the SMILES notation for methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate?
The canonical SMILES for methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate is COC(=O)c1ccc2nc3c(c(=O)n2c1)CCCC3=Cc1ccccc1OC.
What is the InChIKey of methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate?
The InChIKey is UEVLPGKLFPGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-18-9-4-3-6-14(18)12-15-7-5-8-17-20(15)23-19-11-10-16(22(26)28-2)13-24(19)21(17)25/h3-4,6,9-13H,5,7-8H2,1-2H3.
What are the key properties of methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate?
methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate is sourced from PubChem (CID 151991831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).