2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide

C19H16N6O2 — CID 46210399

IUPAC2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide
SMILES[N-]=[N+]=Nc1ccccc1C(=O)N[C@H]1CCC2=Nc3ccccc3CN2C1=O
InChIInChI=1S/C19H16N6O2/c20-24-23-15-8-4-2-6-13(15)18(26)22-16-9-10-17-21-14-7-3-1-5-12(14)11-25(17)19(16)27/h1-8,16H,9-11H2,(H,22,26)/t16-/m0/s1
InChIKeyVMLLXTRNFDSGRD-INIZCTEOSA-N
MW360.38 g/mol
LogP3.59
Rot. Bonds3

About 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide

2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide (PubChem CID 46210399) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide.

Molecular Properties

Compound Name2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide
PubChem CID46210399
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide
SMILES[N-]=[N+]=Nc1ccccc1C(=O)N[C@H]1CCC2=Nc3ccccc3CN2C1=O
InChIInChI=1S/C19H16N6O2/c20-24-23-15-8-4-2-6-13(15)18(26)22-16-9-10-17-21-14-7-3-1-5-12(14)11-25(17)19(16)27/h1-8,16H,9-11H2,(H,22,26)/t16-/m0/s1
InChIKeyVMLLXTRNFDSGRD-INIZCTEOSA-N
XLogP3.59
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide?
The IUPAC name of 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide (CID 46210399) is 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide.
What is the SMILES notation for 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide?
The canonical SMILES for 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide is [N-]=[N+]=Nc1ccccc1C(=O)N[C@H]1CCC2=Nc3ccccc3CN2C1=O.
What is the InChIKey of 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide?
The InChIKey is VMLLXTRNFDSGRD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-24-23-15-8-4-2-6-13(15)18(26)22-16-9-10-17-21-14-7-3-1-5-12(14)11-25(17)19(16)27/h1-8,16H,9-11H2,(H,22,26)/t16-/m0/s1.
What are the key properties of 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide?
2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide has a molecular weight of 360.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide is sourced from PubChem (CID 46210399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).