2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide

C13H11ClFN3O2 — CID 71035240

IUPAC2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
SMILESNC(=O)C1CCCn2c1nc1c(F)cc(Cl)cc1c2=O
InChIInChI=1S/C13H11ClFN3O2/c14-6-4-8-10(9(15)5-6)17-12-7(11(16)19)2-1-3-18(12)13(8)20/h4-5,7H,1-3H2,(H2,16,19)
InChIKeyFOHYTWNXYZLIOV-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.55
Rot. Bonds1

About 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide

2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 71035240) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID71035240
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
SMILESNC(=O)C1CCCn2c1nc1c(F)cc(Cl)cc1c2=O
InChIInChI=1S/C13H11ClFN3O2/c14-6-4-8-10(9(15)5-6)17-12-7(11(16)19)2-1-3-18(12)13(8)20/h4-5,7H,1-3H2,(H2,16,19)
InChIKeyFOHYTWNXYZLIOV-UHFFFAOYSA-N
XLogP1.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide with MolForge

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Related Compounds

3-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide
CID 71035241
(6S)-6-bromo-3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 95757248
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152057
dimethyl 6-chloro-8-fluoroquinoline-2,4-dicarboxylate
CID 118170889
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
4-chloro-2,6-difluorobenzamide
CID 22478130
7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 24800976
1-(5-fluoro-6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 146074769
6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71208473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide (CID 71035240) is 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide is NC(=O)C1CCCn2c1nc1c(F)cc(Cl)cc1c2=O.
What is the InChIKey of 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is FOHYTWNXYZLIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-6-4-8-10(9(15)5-6)17-12-7(11(16)19)2-1-3-18(12)13(8)20/h4-5,7H,1-3H2,(H2,16,19).
What are the key properties of 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide?
2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 295.70 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 71035240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).