6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C20H14ClFN4O — CID 164546187

IUPAC6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cnc3[nH]ccc3c2)c2c(n1)NCCO2
InChIInChI=1S/C20H14ClFN4O/c21-13-1-2-16(22)15(8-13)17-9-14(18-20(26-17)24-5-6-27-18)12-7-11-3-4-23-19(11)25-10-12/h1-4,7-10H,5-6H2,(H,23,25)(H,24,26)
InChIKeyBWGAVAJPPVNLHG-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.89
Rot. Bonds2

About 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 164546187) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID164546187
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cnc3[nH]ccc3c2)c2c(n1)NCCO2
InChIInChI=1S/C20H14ClFN4O/c21-13-1-2-16(22)15(8-13)17-9-14(18-20(26-17)24-5-6-27-18)12-7-11-3-4-23-19(11)25-10-12/h1-4,7-10H,5-6H2,(H,23,25)(H,24,26)
InChIKeyBWGAVAJPPVNLHG-UHFFFAOYSA-N
XLogP4.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 164546187) is 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Fc1ccc(Cl)cc1-c1cc(-c2cnc3[nH]ccc3c2)c2c(n1)NCCO2.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is BWGAVAJPPVNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c21-13-1-2-16(22)15(8-13)17-9-14(18-20(26-17)24-5-6-27-18)12-7-11-3-4-23-19(11)25-10-12/h1-4,7-10H,5-6H2,(H,23,25)(H,24,26).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 380.81 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 164546187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).