2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

C19H15ClFN3O2 — CID 46261315

IUPAC2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccc(F)cc1Cl
InChIInChI=1S/C19H15ClFN3O2/c20-15-9-11(21)4-6-13(15)18(25)22-12-5-7-16-14(10-12)19(26)24-8-2-1-3-17(24)23-16/h4-7,9-10H,1-3,8H2,(H,22,25)
InChIKeyAYQUBNDMLAZIOJ-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.78
Rot. Bonds2

About 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 46261315) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
PubChem CID46261315
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccc(F)cc1Cl
InChIInChI=1S/C19H15ClFN3O2/c20-15-9-11(21)4-6-13(15)18(25)22-12-5-7-16-14(10-12)19(26)24-8-2-1-3-17(24)23-16/h4-7,9-10H,1-3,8H2,(H,22,25)
InChIKeyAYQUBNDMLAZIOJ-UHFFFAOYSA-N
XLogP3.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (CID 46261315) is 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is AYQUBNDMLAZIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-9-11(21)4-6-13(15)18(25)22-12-5-7-16-14(10-12)19(26)24-8-2-1-3-17(24)23-16/h4-7,9-10H,1-3,8H2,(H,22,25).
What are the key properties of 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 371.80 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 46261315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).