methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate

C15H11N3O4 — CID 146442513

IUPACmethyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate
SMILESCOC(=O)c1cccc2c(=O)n3cccc(C(N)=O)c3nc12
InChIInChI=1S/C15H11N3O4/c1-22-15(21)9-5-2-4-8-11(9)17-13-10(12(16)19)6-3-7-18(13)14(8)20/h2-7H,1H3,(H2,16,19)
InChIKeyBQWFLGAXHGYWRP-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.73
Rot. Bonds2

About methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate

methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate (PubChem CID 146442513) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate
PubChem CID146442513
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Namemethyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate
SMILESCOC(=O)c1cccc2c(=O)n3cccc(C(N)=O)c3nc12
InChIInChI=1S/C15H11N3O4/c1-22-15(21)9-5-2-4-8-11(9)17-13-10(12(16)19)6-3-7-18(13)14(8)20/h2-7H,1H3,(H2,16,19)
InChIKeyBQWFLGAXHGYWRP-UHFFFAOYSA-N
XLogP0.73
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate?
The IUPAC name of methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate (CID 146442513) is methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate.
What is the SMILES notation for methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate?
The canonical SMILES for methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate is COC(=O)c1cccc2c(=O)n3cccc(C(N)=O)c3nc12.
What is the InChIKey of methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate?
The InChIKey is BQWFLGAXHGYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-22-15(21)9-5-2-4-8-11(9)17-13-10(12(16)19)6-3-7-18(13)14(8)20/h2-7H,1H3,(H2,16,19).
What are the key properties of methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate?
methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate is sourced from PubChem (CID 146442513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).