N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

C22H19N3O3 — CID 46857811

IUPACN-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cccn2c(=O)c3ccccc3nc12
InChIInChI=1S/C22H19N3O3/c1-2-28-19-12-6-3-8-15(19)14-23-21(26)17-10-7-13-25-20(17)24-18-11-5-4-9-16(18)22(25)27/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyHVUCQGHRGAPRID-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.18
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 46857811) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID46857811
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cccn2c(=O)c3ccccc3nc12
InChIInChI=1S/C22H19N3O3/c1-2-28-19-12-6-3-8-15(19)14-23-21(26)17-10-7-13-25-20(17)24-18-11-5-4-9-16(18)22(25)27/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyHVUCQGHRGAPRID-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (CID 46857811) is N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is CCOc1ccccc1CNC(=O)c1cccn2c(=O)c3ccccc3nc12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is HVUCQGHRGAPRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-28-19-12-6-3-8-15(19)14-23-21(26)17-10-7-13-25-20(17)24-18-11-5-4-9-16(18)22(25)27/h3-13H,2,14H2,1H3,(H,23,26).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 46857811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).