N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

C20H16N4O2 — CID 90644349

IUPACN-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESO=C(NC1CNC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C20H16N4O2/c25-19(22-14-10-21-11-14)15-6-3-7-24-18(15)23-17-9-13-5-2-1-4-12(13)8-16(17)20(24)26/h1-9,14,21H,10-11H2,(H,22,25)
InChIKeyBNXCVFYAJFUJGK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.70
Rot. Bonds2

About N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 90644349) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID90644349
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESO=C(NC1CNC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C20H16N4O2/c25-19(22-14-10-21-11-14)15-6-3-7-24-18(15)23-17-9-13-5-2-1-4-12(13)8-16(17)20(24)26/h1-9,14,21H,10-11H2,(H,22,25)
InChIKeyBNXCVFYAJFUJGK-UHFFFAOYSA-N
XLogP1.70
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 90644349) is N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is O=C(NC1CNC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12.
What is the InChIKey of N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is BNXCVFYAJFUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-19(22-14-10-21-11-14)15-6-3-7-24-18(15)23-17-9-13-5-2-1-4-12(13)8-16(17)20(24)26/h1-9,14,21H,10-11H2,(H,22,25).
What are the key properties of N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 90644349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).