N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C14H12ClN3O2 — CID 58346132

IUPACN-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCOc2cccnc21
InChIInChI=1S/C14H12ClN3O2/c15-10-3-5-11(6-4-10)17-14(19)18-8-9-20-12-2-1-7-16-13(12)18/h1-7H,8-9H2,(H,17,19)
InChIKeyNWLOVRQAEGFUEE-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.17
Rot. Bonds1

About N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 58346132) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID58346132
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCOc2cccnc21
InChIInChI=1S/C14H12ClN3O2/c15-10-3-5-11(6-4-10)17-14(19)18-8-9-20-12-2-1-7-16-13(12)18/h1-7H,8-9H2,(H,17,19)
InChIKeyNWLOVRQAEGFUEE-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 58346132) is N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCOc2cccnc21.
What is the InChIKey of N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is NWLOVRQAEGFUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-10-3-5-11(6-4-10)17-14(19)18-8-9-20-12-2-1-7-16-13(12)18/h1-7H,8-9H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 58346132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).