N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

C17H17N3O4 — CID 5053439

IUPACN-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESCOC(CNC(=O)c1ccc2nc3ccccc3c(=O)n2c1)OC
InChIInChI=1S/C17H17N3O4/c1-23-15(24-2)9-18-16(21)11-7-8-14-19-13-6-4-3-5-12(13)17(22)20(14)10-11/h3-8,10,15H,9H2,1-2H3,(H,18,21)
InChIKeyALUUZCMRKPIBRQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.20
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (PubChem CID 5053439) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
PubChem CID5053439
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESCOC(CNC(=O)c1ccc2nc3ccccc3c(=O)n2c1)OC
InChIInChI=1S/C17H17N3O4/c1-23-15(24-2)9-18-16(21)11-7-8-14-19-13-6-4-3-5-12(13)17(22)20(14)10-11/h3-8,10,15H,9H2,1-2H3,(H,18,21)
InChIKeyALUUZCMRKPIBRQ-UHFFFAOYSA-N
XLogP1.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (CID 5053439) is N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is COC(CNC(=O)c1ccc2nc3ccccc3c(=O)n2c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The InChIKey is ALUUZCMRKPIBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-15(24-2)9-18-16(21)11-7-8-14-19-13-6-4-3-5-12(13)17(22)20(14)10-11/h3-8,10,15H,9H2,1-2H3,(H,18,21).
What are the key properties of N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is sourced from PubChem (CID 5053439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).